Molid | Formula | Iupac | Common Name | Chembl Id | Clinical Phase | Atoms | Charge | Curation | Visibility | Save |
1676738 | C20H25N3O | - | Lysergicaciddiethylamide ... | 263881 | 2 | 49 | 0 | ATB | Public | |
1676134 | C17H18NO2 | - | - | | 4 | 38 | 1 | ATB | Public | |
1675409 | C5H4N4O | - | - | | 4 | 14 | 0 | ATB | Public | |
1675325 | C14H10Cl4 | 1-chloro-4-[(1R)-2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene ... | 1-Chloro-2-[(1R)-2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene ... | 1670 | 3 | 28 | 0 | ATB | Public | |
1674771 | C18H14Cl4N2O | 1-[(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole ... | - | 368348 | 4 | 39 | 0 | ATB | Public | |
1672811 | C8H12NO2 | 2-(3,4-dihydroxyphenyl)ethylazanium ... | dopaminiumcation | | 4 | 23 | 1 | ATB | Public | |
1672785 | C22H26ClN7O2S | - | - | 1421 | 4 | 59 | 0 | ATB | Public | |
1672782 | C26H23N7O2 | - | - | 3707348 | 4 | 58 | 0 | ATB | Public | |
1672478 | C22H26ClN7O2S | - | - | 1421 | 4 | 59 | 0 | ATB | Public | |
1672402 | C27H34O3 | [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate ... | - | 1200412 | 4 | 64 | 0 | ATB | Public | |
1672253 | C25H24N6O2 | - | - | 1873475 | 4 | 57 | 0 | ATB | Public | |
1671869 | C29H31N7O | - | - | 941 | 4 | 68 | 0 | ATB | Public | |
1671834 | C22H26ClN7O2S | - | - | 1421 | 4 | 59 | 0 | ATB | Public | |
1671833 | C26H26FN7O2 | - | - | 4297865 | 3 | 62 | 0 | ATB | Public | |
1671673 | C8H12NO2 | 2-(3,4-dihydroxyphenyl)ethylazanium ... | dopaminiumcation | | 4 | 23 | 1 | ATB | Public | |
1671642 | C22H26ClN7O2S | - | - | 1421 | 4 | 59 | 0 | ATB | Public | |
1671591 | C3H8O3 | PROPANE-1,2,3-TRIOL | glycerine | 692 | 4 | 14 | 0 | ATB | Public | |
1671570 | C8H11N5O3 | - | - | | 4 | 27 | 0 | ATB | Public | |
1671564 | C17H24NO3 | [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate ... | (3-endo,8-syn)-3-{[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane ... | | 4 | 45 | 1 | ATB | Public | |
1671561 | C20H30O5 | (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one ... | - | 186141 | 2 | 55 | 0 | ATB | Public | |
1671560 | C20H30O5 | (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one ... | - | 186141 | 2 | 55 | 0 | ATB | Public | |
1671558 | C20H30O5 | (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one ... | - | 186141 | 2 | 55 | 0 | ATB | Public | |
1671557 | C20H30O5 | (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one ... | - | 186141 | 2 | 55 | 0 | ATB | Public | |
1671531 | C24H30NO3 | - | 1-Benzyl-4-{[(2R)-5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl]methyl}piperidinium ... | | 4 | 58 | 1 | ATB | Public | |
1671530 | C24H30NO3 | - | 1-Benzyl-4-{[(2R)-5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl]methyl}piperidinium ... | | 4 | 58 | 1 | ATB | Public | |
1671508 | C14H20N2O3 | N'-hydroxy-N-phenyloctanediamide ... | Vorinostat | 98 | 3 | 39 | 0 | ATB | Public | |
1671507 | C28H34O15 | (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychroman-4-one ... | - | 449317 | 3 | 77 | 0 | ATB | Public | |
1671440 | C15H23NO4 | 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione ... | - | 123292 | 0 | 43 | 0 | ATB | Public | |
1671421 | C17H18F3N3O3 | 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6273 | 0 | 44 | 0 | ATB | Public | |
1671419 | C15H17FN4O3 | - | - | 826 | 4 | 40 | 0 | ATB | Public | |
1671393 | C17H24NO3 | [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate ... | - | | 4 | 45 | 1 | ATB | Public | |
1671369 | C21H19F2N3O3 | 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6259 | 0 | 48 | 0 | ATB | Public | |
1671367 | C21H19F2N3O3 | 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6259 | 0 | 48 | 0 | ATB | Public | |
1671364 | C3H8O2 | (2S)-propane-1,2-diol ... | (S)-(+)-1,2-Propanediol ... | 286398 | 4 | 13 | 0 | ATB | Public | |
1671362 | C19H22F2N4O3 | 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid ... | - | 850 | 4 | 50 | 0 | ATB | Public | |
1671360 | C42H82NO10P | (2S)-2-amino-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid ... | - | 4297669 | 2 | 136 | 0 | ATB | Public | |
1671352 | C27H29N5O3 | - | - | 3936761 | 3 | 64 | 0 | ATB | Public | |
1671245 | C19H20F3N3O3 | 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid ... | - | 295433 | 0 | 48 | 0 | ATB | Public | |
1671010 | C19H30N5O10P | [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate ... | - | 1538 | 4 | 65 | 0 | ATB | Public | |
1670958 | C19H28O2 | (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one ... | Dehydroepiandrosterone ... | 90593 | 4 | 49 | 0 | ATB | Public | |
1670351 | C14H12O3 | 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol ... | trans-resveratrol | 165 | 4 | 29 | 0 | ATB | Public | |
1670326 | C5H14NO | 2-hydroxyethyl-trimethylazanium ... | 2-(trimethyl-λ4-azanyl)ethanol ... | 920 | 4 | 21 | 1 | ATB | Public | |
1670320 | C8H12NO2 | 2-(3,4-dihydroxyphenyl)ethylazanium ... | dopaminiumcation | | 4 | 23 | 1 | ATB | Public | |
1670294 | C21H30O2 | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol ... | (-)-.DELTA.9-trans-Tetrahydrocannabinol ... | 465 | 4 | 53 | 0 | ATB | Public | |
1670163 | C8H12NO2 | 2-(3,4-dihydroxyphenyl)ethylazanium ... | dopaminiumcation | | 4 | 23 | 1 | ATB | Public | |
1670047 | C13H12F2N6O | 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol ... | Fluconazole | 106 | 4 | 34 | 0 | ATB | Public | |
1670039 | C10H15N5O10P2 | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate ... | - | 14830 | 0 | 42 | 0 | ATB | Public | |
1670021 | C5H14NO | 2-hydroxyethyl-trimethylazanium ... | 2-(trimethyl-λ4-azanyl)ethanol ... | 920 | 4 | 21 | 1 | ATB | Public | |
1670020 | C10H15N5O10P2 | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate ... | - | 14830 | 0 | 42 | 0 | ATB | Public | |
1670001 | C17H14F3N3O2S | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide ... | Celecoxib | 118 | 4 | 40 | 0 | ATB | Public | |
1669973 | C25H22ClNO3 | [(S)-cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate ... | - | 492491 | 0 | 52 | 0 | ATB | Public | |
1669782 | C21H20Cl2O3 | [3-(phenoxy)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate ... | (1R)-trans-Permethrin ... | 589355 | 4 | 46 | 0 | ATB | Public | |
1654286 | C21H18F3N3O3 | 1-(2,4-difluorophenyl)-6-fluoro-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 277100 | 4 | 48 | 0 | ATB | Public | |
1654284 | C21H18F3N3O3 | 1-(2,4-difluorophenyl)-6-fluoro-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 277100 | 4 | 48 | 0 | ATB | Public | |
1653733 | C19H22F2N4O3 | 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid ... | - | 850 | 4 | 50 | 0 | ATB | Public | |
1653396 | C17H18FN3O3S | - | - | 295619 | 0 | 43 | 0 | ATB | Public | |
1653317 | C14H17N5O3 | 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[6,5-d]pyrimidine-6-carboxylic acid ... | - | 30116 | 4 | 39 | 0 | ATB | Public | |
1652995 | C17H20FN3O3 | 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 267648 | 4 | 44 | 0 | ATB | Public | |
1652500 | C19H21FN2O4 | - | - | 363449 | 4 | 47 | 0 | ATB | Public | |
1652345 | C19H21FN2O4 | - | - | 363449 | 4 | 47 | 0 | ATB | Public | |
1651583 | C19H22FN3O3 | 1-cyclopropyl-6-fluoro-5-methyl-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 583 | 4 | 48 | 0 | ATB | Public | |
1642838 | C9H7Cl2N5 | 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine ... | Lamotrigine | 741 | 4 | 23 | 0 | ATB | Public | |
1642245 | C17H18F3N3O3 | 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6273 | 0 | 44 | 0 | ATB | Public | |
1641430 | C15H17FN4O3 | - | - | 826 | 4 | 40 | 0 | ATB | Public | |
1641429 | C19H20FN3O3 | 1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 157548 | 0 | 46 | 0 | ATB | Public | |
1640324 | C19H21ClFN3O3 | - | - | 1201760 | 4 | 48 | 0 | ATB | Public | |
1640323 | C20H24FN3O4 | - | - | 1210954 | 0 | 52 | 0 | ATB | Public | |
1640322 | C20H24FN3O4 | - | - | 1210954 | 0 | 52 | 0 | ATB | Public | |
1640319 | C16H19FN4O3 | 6-fluoro-1-methylamino-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6231 | 0 | 43 | 0 | ATB | Public | |
1640309 | C21H18F3N3O3 | 1-(2,4-difluorophenyl)-6-fluoro-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 277100 | 4 | 48 | 0 | ATB | Public | |
1640308 | C19H22F2N4O3 | 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid ... | - | 850 | 4 | 50 | 0 | ATB | Public | |
1640298 | C14H17N5O3 | 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[6,5-d]pyrimidine-6-carboxylic acid ... | - | 30116 | 4 | 39 | 0 | ATB | Public | |
1640297 | C17H20FN3O3 | 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 267648 | 4 | 44 | 0 | ATB | Public | |
1640293 | C19H20F3N3O3 | 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid ... | - | 295433 | 0 | 48 | 0 | ATB | Public | |
1640289 | C19H21FN2O4 | - | - | 363449 | 4 | 47 | 0 | ATB | Public | |
1640257 | C19H22FN3O3 | 1-cyclopropyl-6-fluoro-5-methyl-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 583 | 4 | 48 | 0 | ATB | Public | |
1640254 | C17H18F3N3O3 | 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6273 | 0 | 44 | 0 | ATB | Public | |
1640233 | C16H31O2 | Hexadecanoic acid | 1-λ1-oxidanylhexadecan-1-one ... | 82293 | 4 | 49 | -1 | ATB | Public | |
1636502 | C28H28O3 | 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid ... | Adapalene | 1265 | 4 | 59 | 0 | ATB | Public | |
1636364 | C27H44O | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol ... | Cholecalciferol | 1042 | 4 | 72 | 0 | ATB | Public | |
1636250 | C21H20Cl2O3 | [3-(phenoxy)phenyl]methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate ... | - | | 4 | 46 | 0 | ATB | Public | |
1636096 | C15H17FN4O3 | - | - | 826 | 4 | 40 | 0 | ATB | Public | |
1636089 | C21H19F2N3O3 | 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6259 | 0 | 48 | 0 | ATB | Public | |
1636086 | C19H20FN3O3 | 1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 157548 | 0 | 46 | 0 | ATB | Public | |
1636020 | C27H44O | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol ... | Cholecalciferol | 1042 | 4 | 72 | 0 | ATB | Public | |
1635990 | C19H21ClFN3O3 | - | - | 1201760 | 4 | 48 | 0 | ATB | Public | |
1635988 | C25H22ClNO3 | [(S)-cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate ... | - | 492491 | 0 | 52 | 0 | ATB | Public | |
1635987 | C20H24FN3O4 | - | - | 1210954 | 0 | 52 | 0 | ATB | Public | |
1635979 | C16H19FN4O3 | 6-fluoro-1-methylamino-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6231 | 0 | 43 | 0 | ATB | Public | |
1635963 | C19H22F2N4O3 | 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid ... | - | 850 | 4 | 50 | 0 | ATB | Public | |
1635946 | C14H17N5O3 | 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[6,5-d]pyrimidine-6-carboxylic acid ... | - | 30116 | 4 | 39 | 0 | ATB | Public | |
1635923 | C17H20FN3O3 | 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 267648 | 4 | 44 | 0 | ATB | Public | |
1635920 | C19H20F3N3O3 | 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid ... | - | 295433 | 0 | 48 | 0 | ATB | Public | |
1635689 | C28H28O3 | 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid ... | Adapalene | 1265 | 4 | 59 | 0 | ATB | Public | |
1635673 | C19H21FN2O4 | - | - | 363449 | 4 | 47 | 0 | ATB | Public | |
1635672 | C19H21FN2O4 | - | - | 363449 | 4 | 47 | 0 | ATB | Public | |
1635667 | C17H19FN4O4 | - | - | 478120 | 0 | 45 | 0 | ATB | Public | |
1635666 | C17H19FN4O4 | - | - | 478120 | 0 | 45 | 0 | ATB | Public | |
1635656 | C19H22FN3O3 | 1-cyclopropyl-6-fluoro-5-methyl-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 583 | 4 | 48 | 0 | ATB | Public | |
1635653 | C17H18F3N3O3 | 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6273 | 0 | 44 | 0 | ATB | Public | |