ATB | Existing Molecules

Selected Molecules (1-100 of 260,052)

Molid	Formula	Iupac	Common Name	Chembl Id	Atoms	Charge	Date	Curation	Visibility
342397	C₂₇H₃₃N₉O₁₅P₂	-	-		86	0	2018-11-17	ATB	Public
342395	C₂H₈O₇P₂	ethyl phosphono hydrogen phosphate ...	Ethyltrihydrogendiphosphate ...		19	0	2018-11-17	ATB	Public
342392	C₂₂H₄₅O₆P	-	-		74	-2	2018-11-17	ATB	Public
342390	C₂₂H₄₅O₇P	-	-		75	-2	2018-11-17	ATB	Public
342383	C₁₁H₂₂N₂	1-(piperidin-1-ylmethyl)piperidine ...	-	3188373	35	0	2018-11-17	ATB	Public
342379	C₁₁H₂₂O₂	-	-	3188283	35	0	2018-11-17	ATB	Public
342377	C₂₂H₄₅O₇S	-	-		75	-1	2018-11-17	ATB	Public
342371	C₁₁H₂₂O₂	Pentyl hexanoate	-	3187784	35	0	2018-11-17	ATB	Public
342367	C₁₁H₂₂O₂	-	-	3187683	35	0	2018-11-17	ATB	Public
342361	C₁₁H₂₂O₂	Ethyl nonanoate	-	3187336	35	0	2018-11-17	ATB	Public
342360	C₄₁H₈₈N₄O₁₆	-	-		149	0	2018-11-17	ATB	Public
342357	C₁₀H₂₂O₃	-	-	3187219	35	0	2018-11-17	ATB	Public
342354	C₁₂H₂₂O	(8E,10E)-dodeca-8,10-dien-1-ol dodeca-8,10-dien-1-ol ...	-	3187120	35	0	2018-11-17	ATB	Public
342352	C₂₄H₁₈N₂	-	-		44	0	2018-11-17	ATB	Public
342350	C₁₁H₂₂O₂	-	-	3186967	35	0	2018-11-17	ATB	Public
342348	C₉H₂₁ClO₃Si	3-chloropropyl-triethoxysilane ...	-	3186873	35	0	2018-11-17	ATB	Public
342343	C₁₁H₂₂O₂	Heptyl butanoate	-	3186512	35	0	2018-11-17	ATB	Public
342332	C₁₂H₂₂O	(2S)-2-heptylcyclopentan-1-one ...	-	3185887	35	0	2018-11-17	ATB	Public
342319	C₂₆H₃₀O₈	-	-		64	0	2018-11-16	ATB	Public
342316	C₁₄H₁₉ClO	1-(4-tert-butylphenyl)-4-chlorobutan-1-one ...	-	3185627	35	0	2018-11-17	ATB	Public
342315	C₅₀H₆₂N₂O₄	-	-		118	0	2018-11-16	ATB	Public
342314	C₁₁₂H₈₄N₁₂O₈Zn	-	-		217	0	2018-11-16	ATB	Public
342312	C₂₂H₂₈NO₄	-	-		55	1	2018-11-16	ATB	Public
342311	C₂₁H₂₅NO₄	(13aS)-2,3,9,10-tetr ...	-		51	0	2018-11-16	ATB	Public
342310	C₂₀H₂₁NO₄	-	-		46	0	2018-11-17	ATB	Public
342309	C₂₀H₂₁NO₄	-	-		46	0	2018-11-17	ATB	Public
342308	C₁₃H₂₀O₂	-	-	3185601	35	0	2018-11-17	ATB	Public
342303	C₁₅H₁₆N₂OS	2-phenyl-N-(4,5,6,7- ...	-	3185368	35	0	2018-11-17	ATB	Public
342298	C₁₈H₂₉O₃S	-	-		51	-1	2018-11-16	ATB	Public
342296	C₁₇H₁₆O₂	2-phenylethyl 3-phen ...	EY056ZZ9MG	493921	35	0	2018-11-17	ATB	Public
342293	C₁₃H₁₈O₄	-	-	3184715	35	0	2018-11-17	ATB	Public
342290	C₁₈H₂₉O₃S	-	-		51	-1	2018-11-16	ATB	Public
342286	C₁₄H₁₆BrNO₃	-	-	3184592	35	0	2018-11-17	ATB	Public
342285	C₁₄H₁₉ClO	-	-	3184534	35	0	2018-11-17	ATB	Public
342284	C₁₃H₂₁N	3,4-dimethyl-N-pentan-3-ylaniline ...	-	3184416	35	0	2018-11-17	ATB	Public
342280	C₁₀H₂₂O₃	1-(dipropoxymethoxy)propane ...	-	3184354	35	0	2018-11-17	ATB	Public
342279	C₁₄H₂₀O	1-(4-tert-butyl-2,6-dimethylphenyl)ethanone ...	-	3184068	35	0	2018-11-17	ATB	Public
342272	C₁₂H₁₇N₅O	-	-	3183688	35	0	2018-11-17	ATB	Public
342270	C₉H₂₃N₃	N-(2-dimethylaminoet ...	-	3183641	35	0	2018-11-17	ATB	Public
342267	C₁₁H₂₀O₄	UNDECANEDIOIC ACID	-	3183300	35	0	2018-11-17	ATB	Public
342265	C₁₀H₂₂O₃	-	-	3183218	35	0	2018-11-17	ATB	Public
342264	C₁₇H₂₂NO₄	methyl (1R,2R,3S,5S) ...	(1R,2R,3S,5S,8R)-3-( ...		44	1	2018-11-16	ATB	Public
342260	C₁₁H₂₂O₂	-	-	3182784	35	0	2018-11-17	ATB	Public
342259	C₂₂H₄₅O₆S	-	-		74	-1	2018-11-16	ATB	Public
342258	C₁₆H₁₅N₃O	-	-	3182579	35	0	2018-11-17	ATB	Public
342257	C₁₄H₂₀O	(2Z)-2-(phenylmethyl ...	-	3182479	35	0	2018-11-17	ATB	Public
342255	C₉H₂₂N₂O₂	2-[2-(2-dimethylaminoethoxy)ethyl-methylamino]ethanol ...	-	3182460	35	0	2018-11-16	ATB	Public
342254	C₉H₁₈Cl₃O₄P	-	-	3182409	35	0	2018-11-17	ATB	Public
342251	C₁₆H₁₇NO	N-ethyl-2-(4-phenylphenyl)acetamide ...	-	3182279	35	0	2018-11-17	ATB	Public
342243	C₁₂H₂₂O	4-Cyclohexyl-4-methylpentan-2-one ...	-	3182057	35	0	2018-11-16	ATB	Public
342242	C₉H₁₅Cl₆O₄P	tris(1,3-dichloropropan-2-yl) phosphate ...	-	3182032	35	0	2018-11-17	ATB	Public
342240	C₁₄H₁₄N₂O₄S	N-(pyridin-4-ylmethy ...	-	3182022	35	0	2018-11-17	ATB	Public
342238	C₁₅H₁₄N₂O₄	(2S)-3-(4-hydroxyphe ...	-	3181990	35	0	2018-11-17	ATB	Public
342237	C₁₆H₁₄N₂O₃	-	-	3181927	35	0	2018-11-17	ATB	Public
342236	C₂₁H₁₄	7-methylbenzo[a]pyrene ...	-	3181846	35	0	2018-11-17	ATB	Public
342233	C₁₃H₁₅N₅OS	-	-	3145373	35	0	2018-11-17	ATB	Public
342232	C₁₃H₁₅N₅OS	-	-	3145366	35	0	2018-11-17	ATB	Public
342231	C₁₃H₁₈N₂OS	-	-	3145358	35	0	2018-11-17	ATB	Public
342230	C₁₄H₁₆N₄O	-	-	3145292	35	0	2018-11-17	ATB	Public
342228	C₁₆H₁₂F₃N₃O	-	-	3145268	35	0	2018-11-17	ATB	Public
342226	C₁₆H₁₅N₃O	-	-	3145256	35	0	2018-11-17	ATB	Public
342223	C₁₆H₁₃N₃O₃	5-methyl-2-(3-nitrophenyl)-4-phenyl-1H-pyrazol-3-one ...	-	3145172	35	0	2018-11-17	ATB	Public
342221	C₁₅H₁₃N₅OS	4-[(1S)-2,2-dicyano- ...	-	3145170	35	0	2018-11-17	ATB	Public
342220	C₁₅H₁₄N₄O₂	-	-	3145140	35	0	2018-11-17	ATB	Public
342219	C₁₆H₁₂Cl₂N₄O	-	-	3145069	35	0	2018-11-17	ATB	Public
342218	C₈₈H₆₈N₁₂O₈Zn	-	-		177	0	2018-11-16	ATB	Public
342216	C₁₄H₁₆N₂OS₂	propyl 3-methyl-5-oxo-1-phenyl-2H-pyrazole-4-carbodithioate ...	-	3145032	35	0	2018-11-17	ATB	Public
342215	C₂₆H₂₅N₆O	-	-		58	-1	2018-11-16	ATB	Public
342213	C₁₆H₁₃FN₄O	-	-	3145005	35	0	2018-11-17	ATB	Public
342211	C₁₅H₁₂N₄O₃S	5-[(3-methyl-5-oxo-1 ...	-	3144978	35	0	2018-11-17	ATB	Public
342210	C₁₅H₁₂N₄O₄	5-[(3-methyl-5-oxo-1 ...	-	3144975	35	0	2018-11-17	ATB	Public
342209	C₃₀H₄₀S₂	-	2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene ...		72	0	2018-11-16	ATB	Public
342207	C₁₇H₁₃ClN₂O₂	4-(benzoyl)-2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one ...	-	3144900	35	0	2018-11-17	ATB	Public
342205	C₁₅H₁₅N₃OS	4-ethyl-5-methyl-2-( ...	-	3144881	35	0	2018-11-17	ATB	Public
342204	C₁₄H₁₆N₂O₃	-	-	3144857	35	0	2018-11-17	ATB	Public
342203	C₁₇H₁₃N₃O₂	8-methoxy-2-phenyl-1H-pyrazolo[4,5-c]quinolin-3-one ...	-	3144841	35	0	2018-11-17	ATB	Public
342202	C₁₇H₁₃ClN₂O₂	4-(4-chlorobenzoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one ...	-	3144821	35	0	2018-11-17	ATB	Public
342200	C₁₇H₁₂Cl₂N₂O₂	4-(4-chlorobenzoyl)- ...	-	3144817	35	0	2018-11-17	ATB	Public
342197	C₃₆H₅₈O₁₂	-	-		106	0	2018-11-15	ATB	Public
342189	C₁₈H₁₄N₂O	2-(naphthalen-1-ylmethyl)-1H-indazol-3-one ...	-	3144719	35	0	2018-11-17	ATB	Public
342188	C₁₇H₁₄N₂O₂	4-(benzoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one ...	-	3144705	35	0	2018-11-17	ATB	Public
342186	C₁₇H₁₃N₃O₂	9-methoxy-2-phenyl-1H-pyrazolo[4,5-c]quinolin-3-one ...	-	3144700	35	0	2018-11-17	ATB	Public
342185	C₁₇H₁₃N₃O₂	-	-	3144671	35	0	2018-11-17	ATB	Public
342184	C₁₇H₁₃N₃O₂	2-(phenylmethyl)-3,5 ...	-	3144648	35	0	2018-11-17	ATB	Public
342183	C₁₄H₁₇N₃O	-	-	3144638	35	0	2018-11-16	ATB	Public
342182	C₁₄H₁₆ClN₃O	-	-	3144637	35	0	2018-11-16	ATB	Public
342181	C₁₄H₁₆ClN₃O	-	-	3144634	35	0	2018-11-16	ATB	Public
342180	C₁₇H₁₃N₃O₂	7-methoxy-2-phenyl-1H-pyrazolo[4,5-c]quinolin-3-one ...	-	3144617	35	0	2018-11-17	ATB	Public
342176	C₁₇H₂₁NO₄	(2S)-1-(4-methoxyphe ...	-		43	0	2018-11-16	ATB	Public
342175	C₁₆H₁₆N₂O	-	-	3144578	35	0	2018-11-16	ATB	Public
342174	C₁₈H₁₄N₂O	2-(naphthalen-2-ylmethyl)-1H-indazol-3-one ...	-	3144577	35	0	2018-11-17	ATB	Public
342173	C₁₁H₁₅N₅O₃S	(2R,3S,5R)-5-(2-amin ...	-	3144431	35	0	2018-11-16	ATB	Public
342172	C₁₁H₁₆N₂O₆	5-(2-hydroxyethyl)-1 ...	-	3144381	35	0	2018-11-16	ATB	Public
342171	C₁₂H₁₇N₂O₅	5-[(2S,3R,4S,5R)-3,4 ...	-	3144088	36	1	2018-11-16	ATB	Public
342170	C₁₁H₁₅N₅O₄	(2S,3R,4S,5R)-2-(7-a ...	-	3144083	35	0	2018-11-16	ATB	Public
342168	C₁₁H₁₅N₅O₄	(2S,3R,4S,5R)-2-(7-a ...	-	3144081	35	0	2018-11-16	ATB	Public
342167	C₁₀H₁₅N₅O₅	-	-	3144074	35	0	2018-11-16	ATB	Public
342166	C₁₁H₁₄ClN₃O₆	3-chloro-6-[(2S,3R,4 ...	-	3143991	35	0	2018-11-17	ATB	Public
342164	C₁₁H₁₅N₅O₄	(2R,3R,4S,5R)-2-(6-a ...	-	3143984	35	0	2018-11-16	ATB	Public
342163	C₅₇H₉₈O₆	2,3-bis[[(9Z,12Z)-oc ...	-		161	0	2018-11-15	ATB	Public

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Existing Molecules

Selected Molecules (1-100 of 260,052)

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Automated Topology Builder (ATB) and Repository Version 3.0

Existing Molecules

Selected Molecules (1-100 of 260,052)

Can't find your molecule ?

Contact

Contributors

Automated Topology Builder (ATB) and Repository
Version 3.0