ATB | Existing Molecules

Selected Molecules (1-100 of 1,402,452)

Molid	Formula	Iupac	Common Name	Chembl Id	Clinical Phase	Atoms	Charge	Curation	Visibility
2051483	C₂₁H₃₀O₂	2-[(1R,6R)-3-methyl- ...	Cannabidiol(7CI)	190461		53	0	ATB	Public
2051482	C₃₃H₃₉N₃	4-[bis(4-diethylamin ...	-			75	0	ATB	Public
2051476	C₃₅H₇₂NO₇	-	-			115	1	ATB	Public
2051469	C₁₈H₂₁N₂	-	-			41	1	ATB	Public
2051468	C₁₃H₂₂O₄Si	-	-			40	0	ATB	Public
2051467	C₁₃H₂₂O₄Si	-	-			40	0	ATB	Public
2051466	C₁₃H₂₂O₄Si	-	-			40	0	ATB	Public
2051465	C₁₃H₂₂O₄Si	-	-			40	0	ATB	Public
2051463	C₁₂H₂₀O₁₀	-	-			42	0	ATB	Public
2051462	C₂₈H₃₁N₂O₃	-	2-[3-(diethylamino)- ...			64	1	ATB	Public
2051460	C₃₀H₂₆O₆S₂	-	-			64	0	ATB	Public
2051459	C₄₀H₄₄N₂O	-	-			87	0	ATB	Public
2051458	C₃₆H₃₆N₂O	-	-			75	0	ATB	Public
2051457	C₂₉H₂₂N₂O	-	-			54	0	ATB	Public
2051452	C₉H₈O₃	3-(4-hydroxyphenyl)p ...	(E)-p-coumaricacid	66879		20	0	ATB	Public
2051451	C₁₈H₃₀O	2-Dodecylphenol	-			49	0	ATB	Public
2051450	C₂₉H₃₆O₁₂	-	-			77	0	ATB	Public
2051449	C₄₃H₃₂O₂₀	-	-			95	0	ATB	Public
2051448	C₃₆H₂₈O₁₆	-	-			80	0	ATB	Public
2051447	C₃₆H₃₀O₁₆	-	-			82	0	ATB	Public
2051446	C₂₆H₁₂N₄O₂	-	-			44	0	ATB	Public
2051445	C₂₆H₁₂N₄O₂	-	-			44	0	ATB	Public
2051444	C₄₀H₇₉NO₂	-	-			122	0	ATB	Public
2051443	C₃H₆N₂O₃S	(2S)-2-amino-3-nitrososulfanylpropanoic acid ...	S-Nitroso-D-cysteine	348409		15	0	ATB	Public
2051442	C₄₁H₇₃N₆O₁₃	-	-			133	-1	ATB	Public
2051435	C₄₁H₇₆N₆O₁₃	-	-			136	0	ATB	Public
2051434	C₆H₆O₃	5-(hydroxymethyl)furan-2-carbaldehyde ...	5-(Hydroxymethyl)-2-furaldehyde ...	185885		15	0	ATB	Public
2051433	C₂₉H₅₂O	-	-			82	0	ATB	Public
2051431	C₃₅H₃₀N₄O₄	-	Midostaurin	608533		73	0	ATB	Public
2051425	C₃₃H₆₇NO₃	-	-			104	0	ATB	Public
2051424	C₄₄H₈₈NO₈P	[(2R)-2,3-di(octadec ...	1,2-Distearoyl-sn-glycero-3-phosphocholine ...			142	0	ATB	Public
2051423	C₂₇H₄₆O	-	-			74	0	ATB	Public
2051422	C₄₈H₉₅NO₅	-	-			149	0	ATB	Public
2051421	C₄₈H₉₅NO₅	-	-			149	0	ATB	Public
2051420	C₁₁H₁₉F₃O₃SSi	-	-			38	0	ATB	Public
2051419	C₂₂H₂₆O₆	-	-			54	0	ATB	Public
2051418	C₂₁H₂₅ClO₆	(2S,3R,4R,5S,6R)-2-[ ...	-	429910	4	53	0	ATB	Public
2051417	C₄₈H₇₂O₁₄	-	-			134	0	ATB	Public
2051415	C₆H₆NO₅	(2R,3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol ...	2-Amino-2-deoxy-^6;-D-galactopyranose ...			18	1	ATB	Public
2051412	C₁₈H₂₆O₂	-	(5β)-Estrane-3,17-dione ...			46	0	ATB	Public
2051411	C₂₀H₄₂O	Icosan-1-ol	EICOSANOL			63	0	ATB	Public
2051407	C₁₆H₁₃N	2,4-di(phenyl)-1H-pyrrole ...	2,4-Diphenylpyrrole	1707952		30	0	ATB	Public
2051406	C₁₅H₁₂O₅	(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one ...	Naringenin	9352	1	32	0	ATB	Public
2051404	C₁₆H₁₂O₅	5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one ...	olmelin	131921		33	0	ATB	Public
2051403	C₁₅H₁₀O₅	5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one ...	Apigenin	28		30	0	ATB	Public
2051400	C₃₄H₃₄O₆S₂	-	-			76	0	ATB	Public
2051399	C₃₄H₃₄O₆S₂	-	-			76	4	ATB	Public
2051397	C₃₄H₃₄O₆S₂	-	-			76	-2	ATB	Public
2051395	C₁₅H₂₂O₄	-	Rugosal			41	0	ATB	Public
2051394	C₁₃₀H₁₇₉N₉O₅₃S	-	-			372	0	ATB	Public
2051393	C₁₅H₁₀O₆	3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one ...	Kaempferol	150		31	0	ATB	Public
2051392	C₁₅H₁₀O₇	2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one ...	Quercetin	50		32	0	ATB	Public
2051391	C₆₈H₆₈N₆O₁₄	-	-			156	0	ATB	Public
2051390	C₆H₆NO₅	(2R,3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol ...	2-Amino-2-deoxy-^6;-D-galactopyranose ...			18	1	ATB	Public
2051389	C₆H₆NO₅	(2R,3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol ...	2-Amino-2-deoxy-^6;-D-galactopyranose ...			18	-1	ATB	Public
2051386	C₁₅H₁₀O₅	5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one ...	Apigenin	28		30	0	ATB	Public
2051385	C₂₈H₄₄O	(3S,9S,10R,13R,14R,1 ...	Ergosterol	1232562		73	0	ATB	Public
2051383	C₁₅H₁₂O₅	(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one ...	Naringenin	9352	1	32	0	ATB	Public
2051382	C₁₆H₁₂O₅	5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one ...	olmelin	131921		33	0	ATB	Public
2051381	C₁₆H₁₂O₅	5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one ...	olmelin	131921		33	0	ATB	Public
2051380	C₁₅H₁₀O₅	5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one ...	Apigenin	28		30	0	ATB	Public
2051379	C₄₂H₆₁O₁₆	-	-			119	-1	ATB	Public
2051378	C₅H₁₁NO₂	2-trimethylazaniumylacetate ...	trimethylglycine	1182	4	19	0	ATB	Public
2051377	C₁₂H₂₁Cl₅	-	-			38	0	ATB	Public
2051376	C₃₂H₅₁N₅O₅	-	-			93	0	ATB	Public
2051375	C₁₂H₂₁F₅	-	-			38	0	ATB	Public
2051374	C₁₂H₂₁F₅	-	-			38	0	ATB	Public
2051372	C₁₇H₃₆	-	-			53	0	ATB	Public
2051371	C₂₂H₄₁N₅O₅	-	-			73	0	ATB	Public
2051370	C₂₂H₃₆O₁₀	-	-			68	0	ATB	Public
2051369	C₂₂H₄₆	-	-			68	0	ATB	Public
2051368	C₃₂H₅₆O₁₅	-	-			103	0	ATB	Public
2051367	C₂₇H₄₆O₁₅	-	-			88	0	ATB	Public
2051366	C₅₂H₄₆O₂₀	-	-			118	0	ATB	Public
2051365	C₁₇H₃₁N₅O₅	-	-			58	0	ATB	Public
2051364	C₂₂H₃₆	-	-			58	0	ATB	Public
2051363	C₃₇H₄₁N₅	-	-			83	0	ATB	Public
2051362	C₉H₁₁Cl₃NO₃PS	-	Chlorpyrifos	463210		29	0	ATB	Public
2051361	C₈H₁₀ClN₅O₃S	(NZ)-N-[3-[(2-chloro ...	Thiamethoxam	1896251		28	0	ATB	Public
2051360	C₁₄H₂₀ClNO₂	2-Chloro-N-(ethoxyme ...	ACETOCHLOR	1517425		38	0	ATB	Public
2051359	C₁₀H₁₉N₅S	6-methylsulfanyl-N,N ...	-			35	0	ATB	Public
2051358	C₈H₁₄ClN₅	6-chloro-N'-ethyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine ...	-	15063		28	0	ATB	Public
2051357	C₃₂H₅₆N₃O₂	-	-			93	1	ATB	Public
2051356	C₃₂H₅₅N₃O₂	(3S,5R,6R,8S,9S,10R, ...	-			92	0	ATB	Public
2051355	C₂₇H₄₆O₃	(3S,5R,8S,9S,10R,13R ...	Yakkasterone			76	0	ATB	Public
2051354	C₂₇H₄₁O₄	-	-			72	-1	ATB	Public
2051353	C₉H₉N₃O₂	methyl N-(1H-benzimidazol-2-yl)carbamate ...	Carbendazim			23	0	ATB	Public
2051352	C₂₇H₄₅O₅S	-	(3β)-25-Hydroxycholest-5-en-3-ylhydrogensulfate ...			78	-1	ATB	Public
2051351	C₁₉H₁₇Cl₂N₃O₃	-	(2S,4R)-difenoconazole ...			44	0	ATB	Public
2051350	C₁₆H₂₂ClN₃O	-	(S)-tebuconazole	487186		43	0	ATB	Public
2051349	C₉H₁₀ClN₅O₂	-	Imidacloprid	406819	4	27	0	ATB	Public
2051348	C₂₇H₄₃O₄	-	(3β,7α,25R)-3,7-Dihydroxycholest-5-en-26-oicacid ...			74	-1	ATB	Public
2051347	C₂₇H₄₃O₃	-	(25R)-3β-Hydroxycholest-5-en-26-oicacid ...			73	-1	ATB	Public
2051346	C₂₇H₄₄O₂	(3S,8S,9S,10R,13R,14 ...	24(S),25-epoxycholesterol ...			73	0	ATB	Public
2051345	C₂₇H₄₆O₂	(3S,4R,8S,9S,10R,13R ...	4β-Hydroxycholesterol ...			75	0	ATB	Public
2051344	C₂₁H₃₄O₂	1-[(3R,5R,8R,9S,10S, ...	Pregnanolone	210952		57	0	ATB	Public
2051343	C₂₀H₃₂O₂	-	-			54	0	ATB	Public
2051342	C₁₈H₃₆O₆	-	-			60	0	ATB	Public
2051341	C₁₈H₃₆O₆	-	-			60	0	ATB	Public
2051338	C₄₂H₈₂NO₈P	-	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine ...			134	0	ATB	Public