ATB | Existing Molecules

Selected Molecules (1-100 of 228,967)

Molid	Formula	Iupac	Common Name	Chembl Id	Atoms	Charge	Date	Curation	Visibility
307393	C₄₅H₆₇N₁₉O₂₁S₃	-	-		155	0	2018-04-26	ATB	Public
307392	C₃₂H₂₄	-	-		56	0	2018-04-26	ATB	Public
307390	C₁₈H₂₉O₃S	-	-		51	-1	2018-04-26	ATB	Public
307388	C₂₈H₄₅N₃O₄	-	-		80	0	2018-04-26	ATB	Public
307386	C₃₀H₁₆N₄S₅	-	-		55	0	2018-04-26	ATB	Public
307368	C₁₆H₃₃O₅	2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethanol ...	3,6,9,12-Tetraoxaicosan-1-ol ...		54	-1	2018-04-26	ATB	Public
307366	C₃₈H₃₇N₉O₁₀P	-	-		95	-3	2018-04-25	ATB	Public
307352	C₆H₁₀O₄	-	2-Methoxy-2-oxoethylpropionate ...		20	0	2018-04-26	ATB	Public
307351	C₈H₁₄O₄	-	-		26	0	2018-04-26	ATB	Public
307334	C₁₀H₁₉N₃O₃	-	-	306997	35	0	2018-04-26	ATB	Public
307323	C₇H₆O₅	3,4,5-Trihydroxybenzoic acid ...	Gallicacid		18	0	2018-04-25	ATB	Public
307322	C₆H₁₅FP	-	-		23	1	2018-04-25	ATB	Public
307321	C₆HF₄S	2,3,5,6-Tetrafluorobenzenethiol ...	2,3,5,6-Tetrafluorobenzenethiol ...		12	-1	2018-04-25	ATB	Public
307320	C₂₇H₂₄Cl₂N₄	-	-		57	0	2018-04-25	ATB	Public
307316	C₂₇H₃₁N₉O₁₅P₂	-	-		84	-2	2018-04-25	ATB	Public
307314	C₁₇H₁₉N₄O₉P	-	-		50	-2	2018-04-26	ATB	Public
307311	C₂₇H₃₁N₉O₁₅P₂	-	-		84	-2	2018-04-25	ATB	Public
307310	C₆H₇NO₅	-	[(2S)-2-Amino-3-oxopropyl]malonicacid ...		19	-2	2018-04-25	ATB	Public
307309	C₆H₇NO₅	-	[(2S)-2-Amino-3-oxopropyl]malonicacid ...		19	-2	2018-04-25	ATB	Public
307308	C₆H₇NO₅	-	[(2S)-2-Amino-3-oxopropyl]malonicacid ...		19	-2	2018-04-25	ATB	Public
307307	C₆H₇NO₅	-	[(2S)-2-Amino-3-oxopropyl]malonicacid ...		19	-2	2018-04-25	ATB	Public
307306	C₆H₇NO₅	-	[(2S)-2-Amino-3-oxopropyl]malonicacid ...		19	-2	2018-04-25	ATB	Public
307305	C₃₃H₃₅N₁₀O₅	-	-		83	-1	2018-04-24	ATB	Public
307303	C₃₃H₃₅N₁₀O₅	-	-		83	-1	2018-04-24	ATB	Public
307296	C₃H₈S₄	bis(methyldisulfanyl)methane ...	2,3,5,6-tetrathiaheptane ...		15	0	2018-04-25	ATB	Public
307295	C₁₀H₁₂N₂O₂S₂	-	-		28	0	2018-04-25	ATB	Public
307294	C₃H₈S₂	bis(methylsulfanyl)methane ...	128SGX814T		13	0	2018-04-25	ATB	Public
307277	C₁₁H₂₀N₄O₄	-	N-Acetyl-L-alanylglycyl-N-methyl-L-alaninamide ...		39	0	2018-04-26	ATB	Public
307274	C₇H₆O₅	3,4,5-Trihydroxybenzoic acid ...	Gallicacid		18	0	2018-04-25	ATB	Public
307264	C₉H₁₁N₂O₄	-	-		26	1	2018-04-25	ATB	Public
307263	C₁₄H₁₉N₃O₄S₂	-	-		42	0	2018-04-24	ATB	Public
307262	C₅H₁₁NO₂S₄	-	-		23	0	2018-04-25	ATB	Public
307261	C₁₄H₁₇N₃S	-	N-[2-(1H-Indol-3-yls ...	77390	35	0	2018-04-26	ATB	Public
307259	C₁₅H₁₃Cl₂NO₄	2-[2-[(2,6-dichloro- ...	CY7817W711	1033	35	0	2018-04-26	ATB	Public
307258	C₁₁H₂₀O₄	1,2,6,7-tetraoxaspiro[7.7]pentadecane ...	1,2,6,7-Tetraoxaspiro[7.7]pentadecane ...	80716	35	0	2018-04-25	ATB	Public
307257	C₁₃H₁₀F₄N₂O₄S₂	2,3,5,6-tetrafluoro- ...	2,3,5,6-Tetrafluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide ...	265534	35	0	2018-04-26	ATB	Public
307254	C₁₈H₁₄O₃	-	-	306710	35	0	2018-04-26	ATB	Public
307249	C₁₄H₁₅N₃O₂S	-	-	307249	35	0	2018-04-25	ATB	Public
307247	C₁₄H₁₅N₃O₂S	-	-	76989	35	0	2018-04-26	ATB	Public
307246	C₁₇H₁₄O₄	5-hydroxy-7-methoxy-6-methyl-2-phenylchromen-4-one ...	5-Hydroxy-7-methoxy-6-methylflavon ...	76553	35	0	2018-04-26	ATB	Public
307244	C₁₇H₁₄O₄	-	(8-Hydroxy-5-oxo-10, ...	75244	35	0	2018-04-26	ATB	Public
307242	C₁₇H₁₄O₄	-	(1-Hydroxy-5-oxo-10, ...	74436	35	0	2018-04-26	ATB	Public
307240	C₁₂H₁₉ClN₂O	-	3-(2-chloroethyl)-1-cyclohexyl-1-prop-2-yn-1-ylurea ...	74895	35	0	2018-04-25	ATB	Public
307238	C₁₆H₁₅N₃O	-	-	74133	35	0	2018-04-26	ATB	Public
307235	C₁₇H₁₄O₄	-	(4-Hydroxy-5-oxo-10, ...	312290	35	0	2018-04-26	ATB	Public
307234	C₁₄H₁₅N₃O₃	6,7-dimethoxy-4-propan-2-yloxyquinazoline-2-carbonitrile ...	4-Isopropoxy-6,7-dimethoxy-2-quinazolinecarbonitrile ...	76324	35	0	2018-04-26	ATB	Public
307232	C₁₇H₁₄O₄	-	(6-Hydroxy-5-oxo-10, ...	432929	35	0	2018-04-26	ATB	Public
307230	C₁₇H₁₄O₄	-	(7-Hydroxy-5-oxo-10, ...	538917	35	0	2018-04-26	ATB	Public
307229	C₁₄H₁₇NO₃	5-methoxy-1,3-dimethyl-2-propan-2-ylindole-4,7-dione ...	2-Isopropyl-5-methoxy-1,3-dimethyl-1H-indole-4,7-dione ...	76891	35	0	2018-04-25	ATB	Public
307226	C₁₅H₁₄O₆	-	(6,7-Dimethoxy-2-oxo-2H-chromen-4-yl)methylacrylate ...	75690	35	0	2018-04-26	ATB	Public
307223	C₁₆H₁₆O₃	2-methyl-2-(4-phenylphenoxy)propanoic acid ...	2-(4-Biphenylyloxy)-2-methylpropanoicacid ...	420382	35	0	2018-04-25	ATB	Public
307220	C₁₂H₁₇NO₄S	-	-	76930	35	0	2018-04-25	ATB	Public
307219	C₁₄H₁₆N₂O₃	-	-	306559	35	0	2018-04-25	ATB	Public
307218	C₁₆H₁₆ClNO	-	1-Chloro-5,9-dimethy ...	74157	35	0	2018-04-25	ATB	Public
307217	C₁₅H₁₆N₂O₂	-	1-Benzyl-3-(3-methoxyphenyl)urea ...	74643	35	0	2018-04-25	ATB	Public
307216	C₁₆H₁₆ClNO	-	1-Chloro-3,9-dimethy ...	276557	35	0	2018-04-25	ATB	Public
307215	C₁₅H₁₆ClO₂P	-	-	76998	35	0	2018-04-25	ATB	Public
307214	C₃₉H₄₆N₂O₈P₂	-	-		97	0	2018-04-24	ATB	Public
307212	C₁₂H₁₇NO₅	-	-	306321	35	0	2018-04-25	ATB	Public
307211	C₁₆H₁₅Cl₂NO	-	1,3-Dichloro-2,4-dim ...	77574	35	0	2018-04-25	ATB	Public
307210	C₅₆H₁₀₃N₉O₃₉	-	2-Amino-2-deoxy-beta ...		207	0	2018-04-24	ATB	Public
307207	C₁₂H₁₉N₃S	-	-	75584	35	0	2018-04-25	ATB	Public
307205	C₁₅H₁₄ClNO₄	-	[2-(2-Amino-6-chloro-4-methoxyphenoxy)phenyl]aceticacid ...	306483	35	0	2018-04-25	ATB	Public
307203	C₁₂H₂₀N₂O	-	N-Methyl-N-[(2R)-5-(1-pyrrolidinyl)-3-pentyn-2-yl]acetamide ...	310852	35	0	2018-04-25	ATB	Public
307202	C₈H₁₁NO₃	-	{[Hydroxy(4-methylphenyl)amino]oxy}methanol ...		23	0	2018-04-24	ATB	Public
307199	C₁₅H₁₆ClNO₂	-	2-{2-[2-Chloro-6-(methylamino)phenoxy]phenyl}ethanol ...	74434	35	0	2018-04-25	ATB	Public
307198	C₁₇H₁₄O₄	3-hydroxy-2-(4-methoxyphenyl)-6-methylchromen-4-one ...	3-Hydroxy-4'-methoxy-6-methylflavone ...	75588	35	0	2018-04-25	ATB	Public
307196	C₁₂H₁₉N₃O	1-methyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidin-2-one ...	1-Methyl-3-[4-(1-pyr ...	77079	35	0	2018-04-25	ATB	Public
307194	C₁₇H₁₃ClO₃S	2-[7-(4-chlorobenzoy ...	[7-(4-Chlorobenzoyl) ...	77715	35	0	2018-04-26	ATB	Public
307192	C₁₇H₁₄O₃S	-	(7-Benzoyl-2,3-dihydro-1-benzothiophen-5-yl)aceticacid ...	307417	35	0	2018-04-25	ATB	Public
307191	C₆H₆N₂O	-	E-pyridine-3-aldoxime ...		15	0	2018-04-24	ATB	Public
307190	C₆H₇O₆	-	{(2R)-2-[(1S)-1,2-Di ...		19	-1	2018-04-24	ATB	Public
307189	C₆H₇O₆	-	VitaminC		19	-1	2018-04-24	ATB	Public
307188	C₂₁H₂₆N₇O₁₇P₃	-	-		74	-4	2018-04-23	ATB	Public
307186	C₁₆H₁₅NO₃	-	3-(4-Hydroxyphenyl)-2,2-dimethyl-2H-1,4-benzoxazin-7-ol ...	307205	35	0	2018-04-25	ATB	Public
307184	C₁₅H₁₃Cl₂N₃O₂	-	1,3-Dichloro-6,7-dih ...	307054	35	0	2018-04-25	ATB	Public
307183	C₁₆H₁₅NO₃	-	(2R)-2-Ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol ...	74758	35	0	2018-04-25	ATB	Public
307180	C₁₃H₁₃N₅O₃S	ethyl 2-(pyrimidin-2 ...	-	309813	35	0	2018-04-25	ATB	Public
307177	C₁₆H₁₄BrNO₃	-	(2S)-3-(3-Bromo-4-hy ...	77620	35	0	2018-04-25	ATB	Public
307173	C₁₃H₁₇N₃O₄S₂	-	-		39	0	2018-04-26	ATB	Public
307172	C₄H₉NO₂S₄	-	-		20	0	2018-04-24	ATB	Public
307170	C₁₃H₁₈Cl₂N₂	1-[2-(3,4-Dichlorophenyl)ethyl]-4-methylpiperazine ...	BD-1063	73824	35	0	2018-04-24	ATB	Public
307168	C₁₂H₁₈N₄O	1,3,3-trimethyl-1-[4-(5-methylimidazol-1-yl)but-2-ynyl]urea ...	-	309000	35	0	2018-04-24	ATB	Public
307166	C₁₂H₂₁NO	(6S,8aS)-5,5,8a-trim ...	(6S,8aS)-5,5,8a-Trim ...	75563	35	0	2018-04-24	ATB	Public
307165	C₂₆H₅₂N₉O₉S₄	-	-		100	3	2018-04-23	ATB	Public
307164	C₃₅H₆₀N₁₁O₁₁S₂	-	-		119	3	2018-04-23	ATB	Public
307163	C₁₈H₂₆O₁₉	-	-		63	0	2018-04-23	ATB	Public
307162	C₁₂H₁₇N₅O	-	-		35	0	2018-04-24	ATB	Public
307157	C₁₇H₁₄O₄	2-[7-(benzoyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid ...	(7-Benzoyl-2,3-dihydro-1-benzofuran-5-yl)aceticacid ...	76711	35	0	2018-04-24	ATB	Public
307155	C₁₇H₁₃ClO₄	2-[7-(4-chlorobenzoy ...	[7-(4-Chlorobenzoyl) ...	76710	35	0	2018-04-25	ATB	Public
307154	C₁₁H₁₆N₆S₂	-	N,N-Dimethyl-2-({(2E ...	77927	35	0	2018-04-24	ATB	Public
307153	C₁₅H₁₆O₄	-	-	74653	35	0	2018-04-24	ATB	Public
307151	C₁₄H₁₉NO	-	-	308812	35	0	2018-04-24	ATB	Public
307150	C₁₄H₁₈N₂O	-	-	306377	35	0	2018-04-24	ATB	Public
307148	C₁₃H₁₈Cl₂N₂	-	1-[2-(3,4-Dichlorophenyl)ethyl]-1,4-diazepane ...	74613	35	0	2018-04-24	ATB	Public
307147	C₁₆H₁₂Cl₂N₄O	-	-	451233	35	0	2018-04-25	ATB	Public
307145	C₁₄H₁₅N₃O₃	2-amino-4,5-dimethoxy-N-pyridin-4-ylbenzamide ...	-	77438	35	0	2018-04-24	ATB	Public
307144	C₁₄H₁₅N₃O₃	2-amino-4,5-dimethoxy-N-pyridin-2-ylbenzamide ...	-	77437	35	0	2018-04-24	ATB	Public
307143	C₉H₁₈ClN₂O₄P	-	-	78125	35	0	2018-04-24	ATB	Public
307141	C₁₅H₁₅NO₄	-	-	433312	35	0	2018-04-24	ATB	Public

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Automated Topology Builder (ATB) and Repository
Version 2.2

Existing Molecules

Selected Molecules (1-100 of 228,967)

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Automated Topology Builder (ATB) and Repository Version 2.2

Existing Molecules

Selected Molecules (1-100 of 228,967)

Can't find your molecule ?

Contact

Contributors

Automated Topology Builder (ATB) and Repository
Version 2.2