ATB | Existing Molecules

Selected Molecules (101-200 of 162,632)

Molid	Formula	Iupac	Common Name	Chembl Id	Atoms	Charge	Date	Curation	Visibility
249598	C₁₃H₁₆FN₃	-	-	1649826	33	0	2017-09-20	ATB	Public
249596	C₁₃H₁₆ClN₃	-	-	1649802	33	0	2017-09-20	ATB	Public
249595	C₂₁H₂₀O₁₁	2-(3,4-dihydroxyphen ...	Quercitrin		52	0	2017-09-19	ATB	Public
249594	C₂₅H₂₆N₂O₃	N-[(2S)-1-[[(2S)-1-h ...	Nalpha-Benzoyl-N-[(2 ...		56	0	2017-09-19	ATB	Public
249592	C₁₃H₁₇N₃	-	-	1649790	33	0	2017-09-20	ATB	Public
249590	C₁₅H₁₂Cl₂FNO₂	-	3-[2-(2,3-Dichlorophenoxy)-6-fluorophenoxy]azetidine ...	1645605	33	0	2017-09-20	ATB	Public
249588	C₁₅H₁₂Cl₂FNO₂	-	3-[2-(2,6-Dichlorophenoxy)-6-fluorophenoxy]azetidine ...	1645603	33	0	2017-09-20	ATB	Public
249586	C₁₅H₁₂F₃NO₂	-	3-[2-(2,6-Difluorophenoxy)-6-fluorophenoxy]azetidine ...	1645602	33	0	2017-09-20	ATB	Public
249584	C₁₅H₁₂ClF₂NO₂	-	3-[2-(2-Chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine ...	1645600	33	0	2017-09-20	ATB	Public
249583	C₂₂H₂₃N₇O	-	-		53	0	2017-09-19	ATB	Public
249581	C₁₅H₁₃ClFNO₂	-	3-[2-(2-Chlorophenoxy)-6-fluorophenoxy]azetidine ...	1645599	33	0	2017-09-20	ATB	Public
249579	C₁₅H₁₃F₂NO₂	-	3-[2-Fluoro-6-(2-fluorophenoxy)phenoxy]azetidine ...	1645598	33	0	2017-09-20	ATB	Public
249577	C₁₅H₁₄FNO₂	-	3-[2-(2-Fluorophenoxy)phenoxy]azetidine ...	1645597	33	0	2017-09-20	ATB	Public
249576	C₂₂H₂₃N₇O	-	-		53	0	2017-09-19	ATB	Public
249574	C₁₅H₁₅NO₂	-	3-(2-Phenoxyphenoxy)azetidine ...	1645596	33	0	2017-09-20	ATB	Public
249573	C₁₄H₁₆O₃	-	(5E)-6-(2-Hydroxyphenyl)-3,3-dimethyl-5-hexene-2,4-dione ...	1645486	33	0	2017-09-20	ATB	Public
249571	C₁₃H₁₁ClFN₅O₂	-	-	1645280	33	0	2017-09-21	ATB	Public
249570	C₂₂H₂₃N₇O	-	-		53	0	2017-09-19	ATB	Public
249567	C₁₁H₁₈O₄	-	[(3R,6S)-6-Pentyl-3,6-dihydro-1,2-dioxin-3-yl]aceticacid ...	1644942	33	0	2017-09-19	ATB	Public
249566	C₁₁H₁₄N₈	-	N'',N'''''-1H-Indene ...	1644910	33	0	2017-09-20	ATB	Public
249565	C₁₆H₁₈N₂O₂	-	-		38	0	2017-09-20	ATB	Public
249563	C₁₄H₁₅IO₃	-	(2E)-3-{3-Iodo-4-[(3 ...	1644882	33	0	2017-09-19	ATB	Public
249561	C₁₄H₁₅BrO₃	-	(2E)-3-{3-Bromo-4-[( ...	1644881	33	0	2017-09-20	ATB	Public
249559	C₁₄H₁₅ClO₃	-	(2E)-3-{3-Chloro-4-[ ...	1644880	33	0	2017-09-20	ATB	Public
249557	C₁₄H₁₅FO₃	-	(2E)-3-{3-Fluoro-4-[ ...	1644879	33	0	2017-09-20	ATB	Public
249556	C₁₄H₁₄N₄O	-	-	1644726	33	0	2017-09-20	ATB	Public
249555	C₁₄H₁₃N₃O₂S	-	7-Methyl-2-[(4-methy ...	1644715	33	0	2017-09-20	ATB	Public
249554	C₁₄H₁₃N₃O₂S	-	7-Methyl-2-[(3-methy ...	1644707	33	0	2017-09-20	ATB	Public
249553	C₁₄H₁₂ClN₃O₂S	-	2-[(4-Chloro-3-methy ...	1644706	33	0	2017-09-20	ATB	Public
249552	C₁₄H₁₃N₃O₂S	-	7-Methyl-2-[(2-methy ...	1644704	33	0	2017-09-20	ATB	Public
249549	C₁₄H₁₆N₂O	-	3-[(3-exo)-8-Azabicyclo[3.2.1]oct-3-yloxy]benzonitrile ...	1644483	33	0	2017-09-19	ATB	Public
249548	C₁₇H₁₁N₃O₂	-	1-Benzyl-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione ...	1644447	33	0	2017-09-20	ATB	Public
249547	C₁₆H₁₄N₂O	N-(4-methoxyphenyl)quinolin-2-amine ...	-	1644338	33	0	2017-09-20	ATB	Public
249545	C₂₂H₂₃N₇O	-	-		53	0	2017-09-19	ATB	Public
249544	C₁₆H₁₄N₂O	-	-	1644336	33	0	2017-09-20	ATB	Public
249542	C₁₄H₁₄Br₂O₃	-	-	1644136	33	0	2017-09-20	ATB	Public
249540	C₁₄H₁₅ClO₃	-	-	1644135	33	0	2017-09-19	ATB	Public
249539	C₁₅H₁₅NO₂	-	N-[4'-(Hydroxymethyl)-3-biphenylyl]acetamide ...	1644049	33	0	2017-09-20	ATB	Public
249538	C₁₇H₁₄O₂	-	6-[4-(Hydroxymethyl)phenyl]-1-naphthol ...	1644033	33	0	2017-09-20	ATB	Public
249537	C₁₇H₁₄O₂	-	6-(4-Methoxyphenyl)-1-naphthol ...	1644032	33	0	2017-09-20	ATB	Public
249536	C₁₀H₁₈O₄	[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate ...	[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]methylbutyrate ...		32	0	2017-09-19	ATB	Public
249535	C₉₄H₁₇₄N₂O₂₅P₂	[(3R)-1-[(2R,3R,4R,5 ...	lipidA(E.coli)		297	-4	2017-09-19	ATB	Public
249534	C₄₅H₇₄N₉O₁₄	-	-		142	1	2017-09-19	ATB	Public
249533	C₄₅H₇₄N₉O₁₄	-	-		142	1	2017-09-19	ATB	Public
249532	C₁₆H₁₁ClO₅	-	1-Chloro-2,4-dihydro ...	1643639	33	0	2017-09-20	ATB	Public
249530	C₁₅H₁₄Cl₂N₂	-	(3S)-1-(3,4-Dichloro ...	1643515	33	0	2017-09-20	ATB	Public
249528	C₁₅H₁₄Cl₂N₂	-	(4R)-1-(3,4-Dichloro ...	1643509	33	0	2017-09-19	ATB	Public
249527	C₁₃H₁₂IN₃O₃S	-	4-{[(4-Iodophenyl)carbamoyl]amino}benzenesulfonamide ...	1643292	33	0	2017-09-19	ATB	Public
249526	C₁₃H₁₂BrN₃O₃S	-	4-{[(4-Bromophenyl)carbamoyl]amino}benzenesulfonamide ...	1643291	33	0	2017-09-20	ATB	Public
249525	C₁₁H₁₄N₂O₅S	-	2-[(2-Methyl-2-propa ...	1642803	33	0	2017-09-20	ATB	Public
249523	C₆₅H₁₀₃N₁₄O₂₄S	-	-		207	1	2017-09-19	ATB	Public
249522	C₁₁H₁₄N₂O₆	[2-(tert-butylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate ...	2-[(2-Methyl-2-propanyl)amino]-2-oxoethyl5-nitro-2-furoate ...	1642766	33	0	2017-09-19	ATB	Public
249521	C₁₀H₁₅N₅O₂S	-	-	1642665	33	0	2017-09-19	ATB	Public
249520	C₁₅H₁₂N₆	-	-	1642661	33	0	2017-09-20	ATB	Public
249519	C₁₂H₁₆BrNO₃	-	4-Bromo-2-methoxy-5- ...	1642497	33	0	2017-09-20	ATB	Public
249515	C₁₄H₁₄FN₃O	-	-	1641612	33	0	2017-09-19	ATB	Public
249514	C₃₁H₅₂N₇O₇	-	-		97	1	2017-09-18	ATB	Public
249513	C₁₄H₁₅N₃O	-	-	1642293	33	0	2017-09-19	ATB	Public
249512	C₁₄H₁₅N₃O	-	-	1642288	33	0	2017-09-19	ATB	Public
249511	C₁₆H₁₁BrFN₃O	-	1-(4-Bromophenyl)-2- ...	1642277	33	0	2017-09-20	ATB	Public
249510	C₁₆H₁₁ClFN₃O	-	1-(4-Chlorophenyl)-2 ...	1642273	33	0	2017-09-20	ATB	Public
249507	C₁₂H₁₄N₂O₄S	-	N-Acetyl-S-(phenylcarbamoyl)-L-cysteine ...	1642102	33	0	2017-09-19	ATB	Public
249505	C₁₂H₁₃ClN₂O₄S	-	N-Acetyl-S-[(3-chlorophenyl)carbamoyl]-L-cysteine ...	1642100	33	0	2017-09-20	ATB	Public
249503	C₁₂H₁₂Cl₂N₂O₄S	-	N-Acetyl-S-[(3,5-dichlorophenyl)carbamoyl]-L-cysteine ...	1642099	33	0	2017-09-19	ATB	Public
249501	C₁₂H₁₃ClN₂O₄S	-	N-Acetyl-S-[(2-chlorophenyl)carbamoyl]-L-cysteine ...	1642097	33	0	2017-09-20	ATB	Public
249499	C₁₂H₁₃IN₂O₄S	-	N-Acetyl-S-[(4-iodophenyl)carbamoyl]-L-cysteine ...	1642094	33	0	2017-09-19	ATB	Public
249497	C₁₂H₁₃BrN₂O₄S	-	N-Acetyl-S-[(4-bromophenyl)carbamoyl]-L-cysteine ...	1642092	33	0	2017-09-20	ATB	Public
249496	C₂₀H₁₆O₂	-	-		38	0	2017-09-20	ATB	Public
249495	C₂₄H₃₉O₃	(4R)-4-[(3R,5R,8R,9S ...	Lithocholicacid	1478	66	-1	2017-09-18	ATB	Public
249492	C₁₂H₁₃FN₂O₄S	-	N-Acetyl-S-[(2-fluorophenyl)carbamoyl]-L-cysteine ...	1642091	33	0	2017-09-20	ATB	Public
249490	C₁₂H₁₃FN₂O₄S	-	N-Acetyl-S-[(4-fluorophenyl)carbamoyl]-L-cysteine ...	1642086	33	0	2017-09-19	ATB	Public
249488	C₁₂H₁₃ClN₂O₄S	-	N-Acetyl-S-[(4-chlorophenyl)carbamoyl]-L-cysteine ...	1642085	33	0	2017-09-19	ATB	Public
249486	C₁₄H₁₁Cl₂N₅O	6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine ...	-	1642049	33	0	2017-09-20	ATB	Public
249484	C₁₄H₁₁F₂N₅O	6-(3,4-difluorophenyl)-4-ethoxypteridin-2-amine ...	-	1642045	33	0	2017-09-19	ATB	Public
249483	C₁₆H₁₃F₃O	1-[(E)-3-phenylprop-2-enoxy]-4-(trifluoromethyl)benzene ...	1-{[(2E)-3-Phenyl-2- ...	1641988	33	0	2017-09-20	ATB	Public
249482	C₁₆H₁₄N₂O	3-(benzimidazol-1-yl)-1-phenylpropan-1-one ...	3-(1H-Benzimidazol-1-yl)-1-phenyl-1-propanone ...	1641721	33	0	2017-09-19	ATB	Public
249481	C₁₆H₁₄O₃	5-[(1E,3E)-4-(4-hydr ...	5-[(1E,3E)-4-(4-Hydr ...	1641661	33	0	2017-09-20	ATB	Public
249480	C₁₁H₁₈O₄	-	(2S,3R,6R)-2-Methyl- ...	1641652	33	0	2017-09-19	ATB	Public
249479	C₁₀H₁₄N₂O₆S	-	N-Hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-D-serinamide ...	1632639	33	0	2017-09-19	ATB	Public
249477	C₁₂H₁₅NO₃S₂	2-[(5Z)-5-(cyclohexy ...	[(5Z)-5-(Cyclohexylm ...	1632561	33	0	2017-09-19	ATB	Public
249476	C₁₂H₁₇NO₂S	ethyl (4R)-2-amino-4 ...	Ethyl(4R)-2-amino-4- ...	1632443	33	0	2017-09-19	ATB	Public
249473	C₁₄H₁₂N₂O₄S	-	(3E)-5-[(3-Cyano-4,5 ...	1632347	33	0	2017-09-20	ATB	Public
249471	C₁₆H₁₁N₃O₂S	-	Methyl3-amino-6-(4-c ...	1632332	33	0	2017-09-20	ATB	Public
249469	C₁₈H₁₁N₃O	-	2-(1-Naphthyl)-2H-indazole-3-carbonitrile1-oxide ...	1632068	33	0	2017-09-20	ATB	Public
249467	C₁₅H₁₄N₂O₂	-	-	1632062	33	0	2017-09-19	ATB	Public
249465	C₁₅H₁₃N₃OS	2-pyridin-4-yl-5,6,7 ...	-	1632049	33	0	2017-09-19	ATB	Public
249464	C₃₀H₂₄F₆N₆O	-	-		67	0	2017-09-18	ATB	Public
249463	C₁₃H₁₆N₂OS	N-(3-cyano-4,5,6,7-t ...	N-(3-Cyano-4,5,6,7-t ...	1632048	33	0	2017-09-20	ATB	Public
249462	C₁₇H₈F₆N₂	-	3-{[3,5-Bis(trifluoromethyl)phenyl]ethynyl}-1H-indazole ...	1631899	33	0	2017-09-20	ATB	Public
249460	C₁₄H₁₂N₄O₂S	-	Methyl3-amino-6-(3-p ...	1631812	33	0	2017-09-19	ATB	Public
249458	C₁₄H₁₂N₄O₂S	-	-	1631811	33	0	2017-09-20	ATB	Public
249456	C₁₂H₁₃N₃O₄S	-	-	1631695	33	0	2017-09-19	ATB	Public
249455	C₁₅H₁₂BrN₃O₂	4-bromo-N-[(2-oxido- ...	4-Bromo-N-[(2-oxido- ...	1631610	33	0	2017-09-20	ATB	Public
249454	C₁₇H₁₂ClNO₂	2-chloro-3-(methyl-phenylamino)naphthalene-1,4-dione ...	2-Chloro-3-[methyl(phenyl)amino]-1,4-naphthoquinone ...	1631465	33	0	2017-09-20	ATB	Public
249453	C₁₇H₁₃NO₂	2-(methyl-phenylamino)naphthalene-1,4-dione ...	2-[Methyl(phenyl)amino]-1,4-naphthoquinone ...	1631464	33	0	2017-09-19	ATB	Public
249451	C₁₇H₁₂ClNO₂	-	2-Chloro-3-[(2-methylphenyl)amino]-1,4-naphthoquinone ...	1631458	33	0	2017-09-20	ATB	Public
249450	C₁₇H₁₃NO₂	-	2-[(2-Methylphenyl)amino]-1,4-naphthoquinone ...	1631457	33	0	2017-09-20	ATB	Public
249449	C₁₇H₁₃ClO₂	-	11-Chloro-3,3-dimethyl-3H-[1]benzofuro[3,2-f]chromene ...	1631434	33	0	2017-09-19	ATB	Public
249444	C₁₀H₁₅N₃O₄S	4-amino-1-[(2R,3S,4S ...	-	1631227	33	0	2017-09-19	ATB	Public
249442	C₁₃H₁₇FN₂	-	5-(5-Fluoro-1H-indol-3-yl)-1-pentanamine ...	1630742	33	0	2017-09-19	ATB	Public

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Automated Topology Builder (ATB) and Repository
Version 2.2

Existing Molecules

Selected Molecules (101-200 of 162,632)

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Automated Topology Builder (ATB) and Repository Version 2.2

Existing Molecules

Selected Molecules (101-200 of 162,632)

Can't find your molecule ?

Contact

Contributors

Automated Topology Builder (ATB) and Repository
Version 2.2