ATB | Existing Molecules

Selected Molecules (1-100 of 162,438)

Molid	Formula	Iupac	Common Name	Chembl Id	Atoms	Charge	Date	Curation	Visibility
250623	C₃₁H₃₅N₃O₉S	-	(5S)-N-{(2S,3R)-4-[( ...	1233803	79	0	2017-09-21	ATB	Public
250602	C₁₆H₂₄O₂	-	-		42	0	2017-09-21	ATB	Public
250600	C₄₄H₈₀NO₈P	2-[[(2R)-3-hexadecan ...	1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphocholine ...		134	0	2017-09-20	ATB	Public
250597	C₁₉H₂₈N₂O₁₁	-	-		60	0	2017-09-20	ATB	Public
250593	C₂₄H₃₉N₃O₂₂P	-	-		89	-1	2017-09-20	ATB	Public
250586	C₂₇H₁₉F₃N₈O₂	-	-		59	0	2017-09-20	ATB	Public
250585	C₂₇H₁₉F₃N₈O₂	-	-		59	0	2017-09-20	ATB	Public
250573	C₈₂H₅₄N₄O₆S₄	-	-		150	0	2017-09-20	ATB	Public
250572	C₈₂H₅₀F₄N₄O₆S₄	-	-		150	0	2017-09-20	ATB	Public
250514	C₁₂H₁₆N₂O₃	-	Methyl3-[(propylcarbamoyl)amino]benzoate ...	1732163	33	0	2017-09-21	ATB	Public
250508	C₉H₂₀O₃S	(2R)-1-[(S)-butylsulfinyl]-3-ethoxypropan-2-ol ...	(2R)-1-[(S)-Butylsulfinyl]-3-ethoxy-2-propanol ...	1732051	33	0	2017-09-20	ATB	Public
250507	C₁₂H₁₄N₄O₃	ethyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate ...	Ethyl[5-(3-methoxyphenyl)-2H-tetrazol-2-yl]acetate ...	1731709	33	0	2017-09-21	ATB	Public
250506	C₁₆H₁₆O	phenyl-(2,4,6-trimethylphenyl)methanone ...	Mesitylphenylketone	1731681	33	0	2017-09-21	ATB	Public
250504	C₇₁H₁₁O₂	-	-		84	-1	2017-09-20	ATB	Public
250501	C₆₅H₅NO₄	-	-		75	-2	2017-09-20	ATB	Public
250484	C₁₃H₁₄F₃N₃	-	{4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile ...	1730745	33	0	2017-09-21	ATB	Public
250481	C₁₄H₁₃NO₄S	-	2-({2-[(2-furylmethyl)amino]-2-oxoethyl}thio)benzoicacid ...	1730709	33	0	2017-09-21	ATB	Public
250480	C₁₂H₁₄N₄OS₂	-	-	1730523	33	0	2017-09-21	ATB	Public
250479	C₁₂H₁₆N₂O₃	-	Butyl(2-carbamoylphenyl)carbamate ...	1730456	33	0	2017-09-21	ATB	Public
250477	C₁₃H₁₅NO₄	-	4-[(1-Carboxycyclopentyl)amino]benzoicacid ...	1730393	33	0	2017-09-21	ATB	Public
250475	C₁₅H₁₄N₂O₂	-	4-Methoxymethyl-6-methyl-2-phenoxy-nicotinonitrile ...	1730289	33	0	2017-09-21	ATB	Public
250471	C₁₆H₁₄N₂O	-	1-Methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one ...	1730137	33	0	2017-09-21	ATB	Public
250467	C₁₂H₁₆N₂O₃	-	1-[2-(2-Nitrophenoxy)ethyl]pyrrolidine ...	1729939	33	0	2017-09-21	ATB	Public
250358	C₁₆H₁₄BrN	-	-		32	0	2017-09-20	ATB	Public
250357	C₁₆H₁₄BrN	-	-		32	0	2017-09-20	ATB	Public
250105	C₁₃H₁₄N₂O₃S	-	2-Oxo-2-[(2-thienylm ...	1710786	33	0	2017-09-21	ATB	Public
250104	C₁₅H₁₃NO₃S	-	N-(2-Furylmethyl)-2-naphthalenesulfonamide ...	1710654	33	0	2017-09-21	ATB	Public
250102	C₁₁H₁₆N₂O₃S	-	-	1710504	33	0	2017-09-20	ATB	Public
250098	C₁₄H₁₇NO	-	-	1710410	33	0	2017-09-20	ATB	Public
250096	C₁₃H₁₄N₂O₄	-	-	1710298	33	0	2017-09-21	ATB	Public
250095	C₁₆H₁₅NO	-	(2E)-N-Methyl-N,3-diphenylacrylamide ...	1710206	33	0	2017-09-21	ATB	Public
249687	C₂₈H₃₆N₄O₆	-	-		74	0	2017-09-20	ATB	Public
249685	C₂₅H₄₂O	-	-		68	0	2017-09-20	ATB	Public
249675	C₁₄H₁₆N₂O	-	-	1652302	33	0	2017-09-20	ATB	Public
249674	C₁₅H₁₂ClN₃OS	-	5-(3-Chlorophenyl)-4 ...	1652196	33	0	2017-09-21	ATB	Public
249672	C₁₄H₁₃N₃O₂S	-	Ethyl2-(1-methyl-1H- ...	1652050	33	0	2017-09-21	ATB	Public
249671	C₄₈H₇₄N₁₆O₁₄S₃	-	-		155	0	2017-09-20	ATB	Public
249668	C₈H₁₅N₃O₇	1-methyl-1-nitroso-3 ...	2-Deoxy-2-{[methyl(n ...	1651906	33	0	2017-09-21	ATB	Public
249667	C₁₁H₁₄O₅S₃	-	-	1651847	33	0	2017-09-20	ATB	Public
249666	C₁₃H₁₂N₄O₄	-	-	1651813	33	0	2017-09-20	ATB	Public
249664	C₁₇H₁₂N₄	-	-	1651459	33	0	2017-09-21	ATB	Public
249662	C₁₈H₃₇O₃P	-	-		59	0	2017-09-19	ATB	Public
249657	C₁₂H₁₅BrO₅	-	bromomethylchlamydosporolA ...	1649603	33	0	2017-09-20	ATB	Public
249656	C₁₅H₁₃N₃S₂	-	-	1651292	33	0	2017-09-21	ATB	Public
249654	C₂₄H₃₂O₁₅	-	-		71	0	2017-09-19	ATB	Public
249653	C₁₆H₁₃NO₃	-	6,7-Dihydroxy-1-methyl-2-phenyl-4(1H)-quinolinone ...	1651177	33	0	2017-09-21	ATB	Public
249650	C₁₇H₁₃NO₂	-	5-Methoxy-2,3-dihydro-7H-dibenzo[de,h]quinolin-7-one ...	1651054	33	0	2017-09-20	ATB	Public
249644	C₁₀H₁₄BrN₂O₅P	-	Dimethyl[(2Z)-4-(5-b ...	1650790	33	0	2017-09-20	ATB	Public
249643	C₁₀H₁₄ClN₂O₅P	-	Dimethyl[(2Z)-4-(5-c ...	1650789	33	0	2017-09-21	ATB	Public
249642	C₁₀H₁₄FN₂O₅P	-	Dimethyl[(2Z)-4-(5-f ...	1650788	33	0	2017-09-20	ATB	Public
249640	C₁₈H₁₇NO₄	-	(6aR)-3-Hydroxy-1,2- ...		40	0	2017-09-21	ATB	Public
249639	C₁₉H₂₃NO₄	-	-		47	0	2017-09-20	ATB	Public
249638	C₁₉H₂₁NO₄	-	Isoteolin		45	0	2017-09-20	ATB	Public
249637	C₁₉H₂₁NO₅	-	-		46	0	2017-09-20	ATB	Public
249636	C₁₅H₂₀N₂O₆	-	-		43	0	2017-09-20	ATB	Public
249635	C₁₈H₁₆O₈	2-(3,4-dihydroxyphen ...	2-(3,4-Dihydroxyphen ...		42	0	2017-09-20	ATB	Public
249634	C₂₁H₂₀O₁₀	(2R,3R)-5,7-dihydrox ...	Afzelin		51	0	2017-09-19	ATB	Public
249633	C₂₅H₂₆N₂O₃	N-[(2S)-1-[[(2S)-1-h ...	Nalpha-Benzoyl-N-[(2 ...		56	0	2017-09-19	ATB	Public
249631	C₂₁H₂₀O₁₁	2-(3,4-dihydroxyphen ...	Quercitrin		52	0	2017-09-19	ATB	Public
249629	C₁₀H₁₄BrN₂O₅P	-	Dimethyl[(2E)-4-(5-b ...	1650780	33	0	2017-09-20	ATB	Public
249627	C₁₀H₁₄ClN₂O₅P	-	Dimethyl[(2E)-4-(5-c ...	1650779	33	0	2017-09-20	ATB	Public
249626	C₁₀H₁₄FN₂O₅P	-	Dimethyl[(2E)-4-(5-f ...	1650778	33	0	2017-09-20	ATB	Public
249625	C₁₀H₁₅N₂O₅P	-	Dimethyl[(2E)-4-(2,4 ...	1650777	33	0	2017-09-20	ATB	Public
249624	C₁₀H₁₅N₂O₅P	[(E)-5-(5-methyl-2,4 ...	[(3E)-5-(5-Methyl-2, ...	1650762	33	0	2017-09-20	ATB	Public
249623	C₁₇H₁₂O₄	-	3-Acetyl-7-(4-hydroxyphenyl)-2H-chromen-2-one ...	1650702	33	0	2017-09-20	ATB	Public
249617	C₁₅H₁₁FN₂O₃S	-	4-Fluoro-N-(8-hydroxy-5-quinolinyl)benzenesulfonamide ...	1650637	33	0	2017-09-21	ATB	Public
249615	C₁₅H₁₂N₂O₃S	-	N-(8-Hydroxy-5-quinolinyl)benzenesulfonamide ...	1650636	33	0	2017-09-21	ATB	Public
249614	C₁₃H₉F₃O₇S	ethyl 2-oxo-7-(trifl ...	Ethyl2-oxo-7-{[(trif ...	1650555	33	0	2017-09-20	ATB	Public
249612	C₁₃H₁₂N₃O₃PS	-	-	1650213	33	0	2017-09-20	ATB	Public
249610	C₁₀H₁₃N₂O₅PS₂	-	-	1650199	33	0	2017-09-20	ATB	Public
249609	C₁₃H₉N₂O₄PS₂	-	-		31	-2	2017-09-19	ATB	Public
249608	C₁₃H₁₁N₂O₄PS₂	-	-	1650196	33	0	2017-09-21	ATB	Public
249606	C₁₂H₁₃N₂O₄PS	-	[5-(2-Cyano-5-isobut ...	1649985	33	0	2017-09-20	ATB	Public
249604	C₁₁H₁₉N₃	N-heptylpyrimidin-2-amine ...	-	1649899	33	0	2017-09-20	ATB	Public
249602	C₁₃H₁₇N₃	-	-	1649834	33	0	2017-09-20	ATB	Public
249600	C₁₃H₁₆BrN₃	-	-	1649828	33	0	2017-09-20	ATB	Public
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

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Automated Topology Builder (ATB) and Repository
Version 2.2

Existing Molecules

Selected Molecules (1-100 of 162,438)

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Automated Topology Builder (ATB) and Repository Version 2.2

Existing Molecules

Selected Molecules (1-100 of 162,438)

Can't find your molecule ?

Contact

Contributors

Automated Topology Builder (ATB) and Repository
Version 2.2