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KB0

KB0
Name:	2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol
Formula:	C22 H18 O2
SMILES:	c3(c2CC(c1ccc(cc1)O)=C(c2cc(c3)O)c4ccccc4)C
InChi:	InChI=1S/C22H18O2/c1-14-11-18(24)12-21-19(14)13-20(15-7-9-17(23)10-8-15)22(21)16-5-3-2-4-6-16/h2-12,23-24H,13H2,1H3
Synonyms:	KB095285
Definition date:	2015-04-27
Last modified:	2020-06-17
Release date:	2016-06-29
Identifier:	2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol

KBP

KBP
Name:	S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate
Formula:	C14 H27 N O3 S
SMILES:	O=C(SCCNC(=O)C)CC(O)CCCCCCC
InChi:	InChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-13(17)11-14(18)19-10-9-15-12(2)16/h13,17H,3-11H2,1-2H3,(H,15,16)/t13-/m1/s1
Synonyms:	3-hydroxydecanoyl-N-acetylcysteamine
Definition date:	2012-07-03
Last modified:	2020-06-17
Release date:	2012-11-23
Identifier:	S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate

KBR

KBR
Name:	Icaridin
Formula:	C12 H23 N O3
SMILES:	CC[CH](C)OC(=O)N1CCCC[CH]1CCO
InChi:	InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3/t10-,11+/m1/s1
Synonyms:	Picaridin
Definition date:	2015-11-04
Last modified:	2020-06-17
Release date:	2016-08-31
Identifier:	[(2~{R})-butan-2-yl] (2~{S})-2-(2-hydroxyethyl)piperidine-1-carboxylate

5CY

5CY
Name:	1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3H-indolium
Formula:	C31 H39 N2 O2
SMILES:	OCCC[N+]=2c1ccccc1C(C=2C=CC=CC=C4N(c3ccccc3C4(C)C)CCCO)(C)C
InChi:	InChI=1S/C31H39N2O2/c1-30(2)24-14-8-10-16-26(24)32(20-12-22-34)28(30)18-6-5-7-19-29-31(3,4)25-15-9-11-17-27(25)33(29)21-13-23-35/h5-11,14-19,34-35H,12-13,20-23H2,1-4H3/q+1
Synonyms:	N,N'-(dipropyl)-tetramethylindodicarbocyanine
Definition date:	2013-04-17
Last modified:	2020-06-17
Identifier:	1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-yl}-3,3-dimethyl-3H-indolium

5FC

5FC
Name:	5-FORMYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N3 O8 P
SMILES:	O=CC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:	InChI=1S/C10H14N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2-3,6-8,15H,1,4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
Synonyms:	2'-DEOXY-5-FORMYLCYTIDINE-5'-MONOPHOSPHATE
Definition date:	2004-04-06
Last modified:	2020-06-17
Identifier:	2'-deoxy-5-formylcytidine 5'-(dihydrogen phosphate)

5FR

5FR
Name:	4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide
Formula:	C30 H34 Cl N7 O3
SMILES:	O=C(N)CCc1cc(cc(Cl)c1)n5nc(c2c5cc(nc2)Nc4ccc(C(=O)NC3CCN(C)CC3)cc4OC)C
InChi:	InChI=1S/C30H34ClN7O3/c1-18-24-17-33-29(16-26(24)38(36-18)23-13-19(4-7-28(32)39)12-21(31)15-23)35-25-6-5-20(14-27(25)41-3)30(40)34-22-8-10-37(2)11-9-22/h5-6,12-17,22H,4,7-11H2,1-3H3,(H2,32,39)(H,33,35)(H,34,40)
Synonyms:	4-{1-[3-(2-carbamoyl-ethyl)-5-chloro-phenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-ylamino}-3-methoxy-N-(1-methyl-piperi din-4-yl)-benzamide
Definition date:	2008-06-16
Last modified:	2020-06-17
Identifier:	4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

5G9

5G9
Name:	4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
Formula:	C17 H11 Cl N4 S
SMILES:	n1c(ccc2ncccc12)c4c(c3cc(Cl)ccc3)nc(N)s4
InChi:	InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)
Synonyms:	GW780159X
Definition date:	2015-09-22
Last modified:	2020-06-17
Release date:	2015-09-30
Identifier:	4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine

5H5

5H5
Name:	(2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide
Formula:	C19 H22 N6 O3
SMILES:	C(=O)(C(C)Oc4ccc3c1n(cc(n1)c2n(C(C)C)ncn2)CCOc3c4)N
InChi:	InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1
Synonyms:	GDC-0326
Definition date:	2015-09-24
Last modified:	2020-06-17
Release date:	2016-01-27
Identifier:	(2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide

Q82

Q82
Name:	{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL) -2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE}
Formula:	C36 H38 N4 O4
SMILES:	N#CN=C1N(C(C(O)C(O)C(N1Cc2ccc(cc2)CO)Cc3ccccc3)Cc4ccccc4)Cc5ccc(cc5)CO
InChi:	InChI=1S/C36H38N4O4/c37-25-38-36-39(21-28-11-15-30(23-41)16-12-28)32(19-26-7-3-1-4-8-26)34(43)35(44)33(20-27-9-5-2-6-10-27)40(36)22-29-13-17-31(24-42)18-14-29/h1-18,32-35,41-44H,19-24H2/t32-,33-,34+,35+/m1/s1
Synonyms:	Q8261
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	{(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-ylidene}cyanamide

Q86

Q86
Name:	4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
Formula:	C12 H13 N3 O
SMILES:	O=C(CCc1ccccc1)Cn2ncnc2
InChi:	InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
Synonyms:	4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
Definition date:	2009-10-06
Last modified:	2020-06-17
Identifier:	4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Q88

Q88
Name:	9H-purine-6,8-diamine
Formula:	C5 H6 N6
SMILES:	n1c(c2nc(N)nc2nc1)N
InChi:	InChI=1S/C5H6N6/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H5,6,7,8,9,10,11)
Synonyms:	8-aminoadenine
Definition date:	2010-04-21
Last modified:	2020-06-17
Identifier:	9H-purine-6,8-diamine

Q9C

Q9C
Name:	N-{4-[(3-aminopropyl)amino]butyl}acetamide
Formula:	C9 H21 N3 O
SMILES:	O=C(NCCCCNCCCN)C
InChi:	InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)
Synonyms:	N8-acetylspermidine
Definition date:	2011-02-16
Last modified:	2020-06-17
Identifier:	N-{4-[(3-aminopropyl)amino]butyl}acetamide

QAQ

QAQ
Name:	[(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile
Formula:	C18 H14 N8 O
SMILES:	N#CCNc1ncnc(n1)n3c4ccccc4nc3Nc2cccc(O)c2
InChi:	InChI=1S/C18H14N8O/c19-8-9-20-16-21-11-22-17(25-16)26-15-7-2-1-6-14(15)24-18(26)23-12-4-3-5-13(27)10-12/h1-7,10-11,27H,9H2,(H,23,24)(H,20,21,22,25)
Synonyms:	2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-ylamino)acetonitrile
Definition date:	2011-01-13
Last modified:	2020-06-17
Identifier:	[(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile

QAR

QAR
Name:	1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine
Formula:	C14 H13 N9
SMILES:	n1c(nc(nc1n2c4ccccc4nc2Nc3nncc3)N)C
InChi:	InChI=1S/C14H13N9/c1-8-17-12(15)21-13(18-8)23-10-5-3-2-4-9(10)19-14(23)20-11-6-7-16-22-11/h2-7H,1H3,(H2,15,17,18,21)(H2,16,19,20,22)
Synonyms:	1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzo[d]imidazol-2-amine
Definition date:	2011-01-13
Last modified:	2020-06-17
Identifier:	1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine

QCM

QCM
Name:	Givinostat
Formula:	C24 H27 N3 O4
SMILES:	C(c3ccc(NC(OCc1ccc2c(c1)ccc(c2)CN(CC)CC)=O)cc3)(NO)=O
InChi:	InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Synonyms:	{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate
Definition date:	2019-10-15
Last modified:	2020-06-17
Release date:	2019-12-04
Identifier:	{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate

QCP

QCP
Name:	AR-42
Formula:	C18 H20 N2 O3
SMILES:	C(C)(C(c1ccccc1)C(Nc2ccc(C(NO)=O)cc2)=O)C
InChi:	InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
Synonyms:	N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide
Definition date:	2019-10-16
Last modified:	2020-06-17
Release date:	2019-12-04
Identifier:	N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide

QCT

QCT
Name:	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside
Formula:	C21 H20 O11
SMILES:	O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)c(O)c4
InChi:	InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
Synonyms:	quercitrin
Definition date:	2012-08-31
Last modified:	2020-06-17
Release date:	2013-01-25
Identifier:	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside

QED

QED
Name:	N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide)
Formula:	C25 H28 N6 O9
SMILES:	O=C3C=CC=C(C(=O)NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)C2=CC=CC(=O)N2O)N3O
InChi:	InChI=1S/C25H28N6O9/c32-19-7-1-4-16(22(19)35)23(36)26-10-13-29(14-11-27-24(37)17-5-2-8-20(33)30(17)39)15-12-28-25(38)18-6-3-9-21(34)31(18)40/h1-9,32,35,39-40H,10-15H2,(H,26,36)(H,27,37)(H,28,38)
Synonyms:	tren mono-2,3-catecholamido bis-N-hydroxypyridin-2-one-6-amide
Definition date:	2009-06-19
Last modified:	2020-06-17
Identifier:	N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide)

QFJ

QFJ
Name:	propionylthiocholine
Formula:	C8 H18 N O S
SMILES:	C[N+](C)(C)CCSC(CC)=O
InChi:	InChI=1S/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1
Synonyms:	N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium
Definition date:	2019-10-22
Last modified:	2020-06-17
Release date:	2020-05-13
Identifier:	N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium

ENL

ENL
Name:	(1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Formula:	C8 H10 O5
SMILES:	O=C(O)C1C(C(=O)O)C2OC1CC2
InChi:	InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4+,5-,6+
Synonyms:	Endothall
Definition date:	2009-05-07
Last modified:	2020-06-17
Identifier:	(1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

ENS

ENS
Name:	methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
Formula:	C25 H29 Cl N6 O4
SMILES:	N#C/C(C(=O)OC)=C(NC2C(=O)N(CC(=O)N1CCCC1)CCCC2)Nc3cccc4c3ncc4Cl
InChi:	InChI=1S/C25H29ClN6O4/c1-36-25(35)17(13-27)23(29-19-9-6-7-16-18(26)14-28-22(16)19)30-20-8-2-3-12-32(24(20)34)15-21(33)31-10-4-5-11-31/h6-7,9,14,20,28-30H,2-5,8,10-12,15H2,1H3/b23-17+/t20-/m0/s1
Synonyms:	methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}prop-2-e noate
Definition date:	2008-09-29
Last modified:	2020-06-17
Identifier:	methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}prop-2-enoate

ENV

ENV
Name:	(2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide
Formula:	C14 H25 F N2 O5
SMILES:	O=C(NCCC(=O)NCCCC(=O)CF)C(O)C(C)(C)CO
InChi:	InChI=1S/C14H25FN2O5/c1-14(2,9-18)12(21)13(22)17-7-5-11(20)16-6-3-4-10(19)8-15/h12,18,21H,3-9H2,1-2H3,(H,16,20)(H,17,22)/t12-/m0/s1
Synonyms:	Fluoroacetyl carba(dethia)-pantetheine
Definition date:	2009-12-16
Last modified:	2020-06-17
Identifier:	(2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide

ENW

ENW
Name:	2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate
Formula:	C13 H23 F N2 O6
SMILES:	O=C(OCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)CF
InChi:	InChI=1S/C13H23FN2O6/c1-13(2,8-17)11(20)12(21)16-4-3-9(18)15-5-6-22-10(19)7-14/h11,17,20H,3-8H2,1-2H3,(H,15,18)(H,16,21)/t11-/m1/s1
Synonyms:	Fluoroacetyl oxa(dethia)-pantetheine
Definition date:	2009-12-17
Last modified:	2020-06-17
Identifier:	2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate

EO5

EO5
Name:	~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide
Formula:	C28 H26 N8 O4 S
SMILES:	C[CH](Nc1ncnc2[nH]cc(c3cc(O)cc(N[S](C)(=O)=O)c3)c12)C4=Nn5ccc(C)c5C(=O)N4c6ccccc6
InChi:	InChI=1S/C28H26N8O4S/c1-16-9-10-35-24(16)28(38)36(20-7-5-4-6-8-20)27(33-35)17(2)32-26-23-22(14-29-25(23)30-15-31-26)18-11-19(13-21(37)12-18)34-41(3,39)40/h4-15,17,34,37H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1
Synonyms:	LASW1976
Definition date:	2018-04-03
Last modified:	2020-06-17
Release date:	2018-11-07
Identifier:	~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide

EOP

EOP
Name:	{ETHANE-1,2-DIYLBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID)
Formula:	C6 H14 N2 O8 P2
SMILES:	O=C(NCCNC(=O)CP(=O)(O)O)CP(=O)(O)O
InChi:	InChI=1S/C6H14N2O8P2/c9-5(3-17(11,12)13)7-1-2-8-6(10)4-18(14,15)16/h1-4H2,(H,7,9)(H,8,10)(H2,11,12,13)(H2,14,15,16)
Synonyms:	2,2'-(ETHANE-1,2-DIYLBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID
Definition date:	2006-02-17
Last modified:	2020-06-17
Identifier:	{ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)

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