ATB | Existing Molecules

Selected Molecules (1-100 of 147,349)

Molid	Formula	Iupac	Common Name	Chembl Id	Atoms	Charge	Date	Curation	Visibility
231691	C₁₀H₁₃N₂O₅SNa	-	-	318816	32	0	2017-07-26	ATB	Public
231625	C₁₅H₁₁N₂O₂SNa	-	-	92751	32	0	2017-07-26	ATB	Public
231522	C₁₃H₁₃IN₄O₂	5-iodo-6-nitro-2-piperazin-1-ylquinoline ...	5-Iodo-6-nitro-2-(1-piperazinyl)quinoline ...	91817	33	0	2017-07-26	ATB	Public
231500	C₂₇H₃₃NO₁₁	-	-		72	0	2017-07-25	ATB	Public
231459	C₁₂H₁₇NO₃	-	-	86360	33	0	2017-07-26	ATB	Public
231431	C₁₇H₁₀ClIO₄	(2-iodophenyl) 6-(chloromethyl)-2-oxochromene-3-carboxylate ...	2-Iodophenyl6-(chlor ...	87407	33	0	2017-07-26	ATB	Public
231389	C₁₂H₁₈N₂O	-	3-Methyl-5-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}pyridine ...	83473	33	0	2017-07-26	ATB	Public
231387	C₁₂H₁₈N₂O	4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine ...	4-Methyl-3-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}pyridine ...	315212	33	0	2017-07-26	ATB	Public
231386	C₁₂H₁₅F₃N₂O	-	-		33	0	2017-07-25	ATB	Public
231373	C₁₀H₁₀N₄O₇P	-	-		32	-1	2017-07-25	ATB	Public
231315	C₃₃H₃₇N₅O₅	-	dihydroergotamine		80	0	2017-07-25	ATB	Public
231302	C₁₀H₁₅N₅O₃	-	-	79979	33	0	2017-07-26	ATB	Public
231289	C₂₂H₂₆ClN₇O₂S	-	-		59	0	2017-07-25	ATB	Public
231286	C₁₄H₁₃BrClN₃O	-	-		33	0	2017-07-25	ATB	Public
231284	C₁₃H₁₂ClFN₄O	-	-		32	0	2017-07-25	ATB	Public
231281	C₂₂H₂₆ClN₇O₂S	-	-		59	0	2017-07-25	ATB	Public
231280	C₁₄H₁₃ClFN₃O	-	-		33	0	2017-07-25	ATB	Public
231278	C₁₀H₁₇N₃O₃	-	-	82897	33	0	2017-07-26	ATB	Public
231245	C₁₀H₁₃N₂O₅P	-	{2-[(7E)-10-Hydroxy- ...		31	-2	2017-07-25	ATB	Public
231237	C₁₂H₁₆N₂O₃	-	-	81129	33	0	2017-07-26	ATB	Public
231202	C₁₂H₁₅N₃O₃	-	Ethyl7-propoxypyrazolo[1,5-a]pyrimidine-6-carboxylate ...	81450	33	0	2017-07-26	ATB	Public
231176	C₁₅H₁₅NO₂	-	(10R)-10-(Aminomethyl)-9,10-dihydro-1,2-anthracenediol ...	81739	33	0	2017-07-26	ATB	Public
231174	C₉H₂₀N₂O₂	-	6-[(3-Aminopropyl)amino]hexanoicacid ...	79086	33	0	2017-07-26	ATB	Public
231169	C₁₂H₁₅N₃O₃	-	Methyl4-butoxy-1H-pyrazolo[3,4-b]pyridine-5-carboxylate ...	78792	33	0	2017-07-26	ATB	Public
231160	C₁₁H₁₆N₂O₃S	-	-		33	0	2017-07-25	ATB	Public
231152	C₁₂H₁₆N₂O₃	-	-	80240	33	0	2017-07-26	ATB	Public
231131	C₁₀H₁₈N₂O₃	-	-		33	0	2017-07-25	ATB	Public
231130	C₁₀H₁₈N₂O₃	(2S)-1-[(2S)-2-amino ...	L-Valyl-L-proline	439762	33	0	2017-07-26	ATB	Public
231125	CH₅NO	azanide; cobalt	Methanolamine		8	0	2017-07-25	ATB	Public
231120	C₁₅H₁₄N₂O₂	5,6-dimethoxy-1-phenylbenzimidazole ...	5,6-Dimethoxy-1-phenyl-1H-benzimidazole ...	79177	33	0	2017-07-26	ATB	Public
231097	C₁₃H₁₇ClN₂	-	1-Allyl-4-(3-chlorophenyl)piperazine ...	76783	33	0	2017-07-26	ATB	Public
231079	C₁₂H₁₆N₂O₃	phenylmethyl N-(2-ethylamino-2-oxoethyl)carbamate ...	Benzyl[2-(ethylamino)-2-oxoethyl]carbamate ...	77713	33	0	2017-07-26	ATB	Public
231071	C₁₁H₁₅N₅O₂	[(2S,5R)-5-(6-methylaminopurin-9-yl)oxolan-2-yl]methanol ...	-	75240	33	0	2017-07-26	ATB	Public
231069	C₁₂H₁₈N₂O	N-(2,6-dimethylphenyl)-2-ethylaminoacetamide ...	N-(2,6-Dimethylphenyl)-N~2~-ethylglycinamide ...	1028	33	0	2017-07-26	ATB	Public
231066	C₁₂H₁₆N₂O₃	phenylmethyl N-(2-dimethylamino-2-oxoethyl)carbamate ...	Benzyl[2-(dimethylamino)-2-oxoethyl]carbamate ...	77648	33	0	2017-07-26	ATB	Public
231059	C₁₅H₁₄ClN₃	6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[4,5-b]pyrazine ...	-	77217	33	0	2017-07-26	ATB	Public
231056	C₁₅H₁₃ClO₄	-	(6-Chloro-2-oxo-2H-chromen-4-yl)methyl3-methyl-2-butenoate ...	74431	33	0	2017-07-26	ATB	Public
231046	C₁₇H₂₁NO₃	-	-		42	0	2017-07-25	ATB	Public
231045	C₁₅H₁₄ClNO₂	-	1-Chloro-3-methoxy-6 ...	73984	33	0	2017-07-26	ATB	Public
231041	C₁₂H₁₇N₃O	-	-	306376	33	0	2017-07-26	ATB	Public
231039	C₁₂H₁₇N₃O	1-methyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)imidazol-2-one ...	-	307512	33	0	2017-07-26	ATB	Public
231038	C₁₅H₁₃Cl₂NO₂	-	1,3-Dichloro-5-methy ...	306287	33	0	2017-07-26	ATB	Public
231030	C₁₅H₁₃NO₄	-	-	264862	33	0	2017-07-26	ATB	Public
231027	C₁₅H₁₄ClNO₂	-	1-Chloro-5-methyl-6, ...	75525	33	0	2017-07-26	ATB	Public
231026	C₅₇H₃₈O₉	-	-		104	0	2017-07-25	ATB	Public
231024	C₁₃H₁₃NO₅S	-	-	78332	33	0	2017-07-26	ATB	Public
231005	C₁₇H₁₂N₂O₂	-	-	74664	33	0	2017-07-26	ATB	Public
230994	C₁₅H₁₄ClNO₂	[2-amino-3-(2-hydrox ...	-	75581	33	0	2017-07-26	ATB	Public
230992	C₁₄H₁₄N₄O	3-[(5,6-dimethyl-7H- ...	-	74778	33	0	2017-07-26	ATB	Public
230988	C₁₃H₁₂Cl₂O₅S	-	[(6,7-Dichloro-1,1-d ...	73597	33	0	2017-07-26	ATB	Public
230985	C₁₂H₁₃NO₆S	-	(7S,7aR)-5-Oxo-2-[(2 ...	431183	33	0	2017-07-26	ATB	Public
230979	C₁₂H₁₃NO₆S	-	-	308706	33	0	2017-07-26	ATB	Public
230968	C₁₃H₁₃O₄P	-	-		31	-2	2017-07-25	ATB	Public
230966	C₁₄H₁₆N₂O	4,4-dimethyl-N-phenylpyridine-1-carboxamide ...	4,4-Dimethyl-N-phenyl-1(4H)-pyridinecarboxamide ...	306087	33	0	2017-07-26	ATB	Public
230961	C₁₃H₁₃N₅OS	-	-	74139	33	0	2017-07-26	ATB	Public
230953	C₁₂H₁₆N₄S	-	2-(2-Methylphenyl)-5-(trimethylhydrazino)-1,3,4-thiadiazole ...	72692	33	0	2017-07-26	ATB	Public
230952	C₁₆H₁₃ClN₂O	-	-	75041	33	0	2017-07-26	ATB	Public
230945	C₁₅H₁₈N₂O	-	-		36	0	2017-07-26	ATB	Public
230922	C₁₄H₁₇NO₂	-	-		34	0	2017-07-26	ATB	Public
230921	C₁₆H₂₂N₂O	-	-		41	0	2017-07-25	ATB	Public
230919	C₁₅H₂₀N₂O	-	-		38	0	2017-07-26	ATB	Public
230916	C₁₅H₁₈N₂O₂	-	-		37	0	2017-07-26	ATB	Public
230912	C₁₄H₁₆N₂O₂	-	-		34	0	2017-07-26	ATB	Public
230911	C₁₃H₁₁F₄N₅	8-fluoro-N-propan-2- ...	-	442176	33	0	2017-07-26	ATB	Public
230910	C₁₃H₁₈N₂	2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole ...	Lerimazoline	72178	33	0	2017-07-25	ATB	Public
230909	C₁₃H₁₈N₂	2-[(4-propylphenyl)methyl]-4,5-dihydro-1H-imidazole ...	2-(4-Propylbenzyl)-4,5-dihydro-1H-imidazole ...	73190	33	0	2017-07-25	ATB	Public
230903	C₂₃H₃₃NO	-	-		58	0	2017-07-24	ATB	Public
230898	C₁₀H₁₈N₄S	-	-	309819	33	0	2017-07-25	ATB	Public
230886	C₁₄H₁₄N₄O	-	11-Ethyl-7-methyl-5, ...	70401	33	0	2017-07-26	ATB	Public
230883	C₁₄H₁₄N₄O	-	11-Ethyl-8-methyl-5, ...	73468	33	0	2017-07-26	ATB	Public
230873	C₁₃H₁₄N₂O₄	-	-	72593	33	0	2017-07-26	ATB	Public
230861	C₁₃H₁₇NO₂	-	-	72245	33	0	2017-07-25	ATB	Public
230850	C₁₁H₁₄NO₅Na	-	-	69067	32	0	2017-07-24	ATB	Public
230845	C₁₇H₁₂O₄	2-(4-oxo-2-phenylchromen-8-yl)acetic acid ...	mitoflaxone	443793	33	0	2017-07-26	ATB	Public
230844	C₁₁H₁₅N₅O₂	-	-	303379	33	0	2017-07-26	ATB	Public
230841	C₉H₁₂N₃O₇PS	-	-	73611	33	0	2017-07-26	ATB	Public
230840	C₁₂H₁₈O₃	(4aR,7R,8R)-7,8-dihy ...	(4aR,7R,8R)-7,8-Dihy ...	71537	33	0	2017-07-25	ATB	Public
230828	C₁₁H₁₇N₃OS	-	-	303599	33	0	2017-07-25	ATB	Public
230826	C₁₂H₁₂F₃N₅O	-	-	303671	33	0	2017-07-26	ATB	Public
230824	C₉H₁₄NO₆P	-	-		31	-2	2017-07-24	ATB	Public
230814	C₂₆H₂₃N₃O	[4-(9H-fluoren-9-yl) ...	5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE ...	216579	53	0	2017-07-24	ATB	Public
230807	C₁₁H₁₃BrN₂O₆	5-[(E)-2-bromoetheny ...	Sorivudine	70046	33	0	2017-07-26	ATB	Public
230794	C₁₈H₂₀FN₃O₄	-	Levofloxacin	33	46	0	2017-07-25	ATB	Public
230781	C₁₃H₁₅ClO₄	-	[(2R,4R)-6-Chloro-4- ...	69689	33	0	2017-07-25	ATB	Public
230779	C₁₁H₁₄N₆O₂	(1R,3R)-3-(6-aminopu ...	-	302508	33	0	2017-07-26	ATB	Public
230776	C₁₃H₁₅FO₄	-	[(2R,3R,4S)-6-Fluoro ...	69818	33	0	2017-07-25	ATB	Public
230775	C₇H₂₀N₂	-	heptan-1,7-diamin	28242	29	2	2017-07-25	ATB	Public
230774	C₆₀H₇₅N₉O₆	-	-		150	0	2017-07-24	ATB	Public
230756	C₁₃H₁₅ClO₄	-	[(2R,4R)-6-Chloro-4- ...	66326	33	0	2017-07-25	ATB	Public
230741	C₂₂H₄₂NO₄	-	-		69	-1	2017-07-24	ATB	Public
230734	C₁₁₇H₁₇₈N₆O₁₂	-	-		313	0	2017-07-25	ATB	Public
230733	C₁₅H₁₄ClNO₂	1-[(1S)-1-(chloromet ...	1-[(1S)-1-(Chloromet ...	305208	33	0	2017-07-26	ATB	Public
230732	C₁₄H₁₅NO₂S	(2-phenyl-5-propyl-1,3-thiazol-4-yl) acetate ...	-	413975	33	0	2017-07-25	ATB	Public
230730	C₁₂H₁₂FNO₇	2-[4-[(2S)-2-amino-3 ...	{4-[(2S)-2-Amino-2-carboxyethyl]phenoxy}(fluoro)malonicacid ...	431555	33	0	2017-07-26	ATB	Public
230729	C₁₅H₁₄ClNO₂	1-[(1R)-1-(chloromet ...	1-[(1R)-1-(Chloromet ...	66736	33	0	2017-07-26	ATB	Public
230714	C₁₇H₁₃NO₂	-	3,3'-pyridine-3,5-diyldiphenol ...	66548	33	0	2017-07-26	ATB	Public
230713	C₁₇H₁₂NO₂	-	2,2'-pyridine-3,5-diyldiphenol ...		32	-1	2017-07-24	ATB	Public
230705	C₁₇H₁₁Cl₂NO₂	-	4,4'-(2,6-Dichloro-3,5-pyridinediyl)diphenol ...	302012	33	0	2017-07-26	ATB	Public
230704	C₁₅H₁₆N₂	-	3-Butyl-2H-beta-carboline ...	69488	33	0	2017-07-26	ATB	Public
230691	C₁₀H₁₄N₆O₃	-	-		33	0	2017-07-24	ATB	Public

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Automated Topology Builder (ATB) and Repository
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Existing Molecules

Selected Molecules (1-100 of 147,349)

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Automated Topology Builder (ATB) and Repository Version 2.2

Existing Molecules

Selected Molecules (1-100 of 147,349)

Can't find your molecule ?

Contact

Contributors

Automated Topology Builder (ATB) and Repository
Version 2.2