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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

5B4

5B4
Name:	N-(2,5-difluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide
Formula:	C26 H20 F3 N5 O3
SMILES:	c3(c(Oc2cc(c1cn(C)nc1)ncc2)cc(c(c3)NC(C5(C(Nc4ccc(F)cc4)=O)CC5)=O)F)F
InChi:	InChI=1S/C26H20F3N5O3/c1-34-14-15(13-31-34)21-10-18(6-9-30-21)37-23-12-19(28)22(11-20(23)29)33-25(36)26(7-8-26)24(35)32-17-4-2-16(27)3-5-17/h2-6,9-14H,7-8H2,1H3,(H,32,35)(H,33,36)
Synonyms:	ALTIRATINIB ANALOG DP-4157
Definition date:	2015-08-31
Last modified:	2020-06-17
Release date:	2016-08-31
Identifier:	N-(2,5-difluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

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

5BT

5BT
Name:	5-bromo-2'-deoxycytidine
Formula:	C9 H12 Br N3 O4
SMILES:	BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)CO)N
InChi:	InChI=1S/C9H12BrN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
Synonyms:	5-bromo-2'-doxy-D-cytidine
Definition date:	2011-01-25
Last modified:	2020-06-17
Identifier:	5-bromo-2'-deoxycytidine

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)

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

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

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

QHM

QHM
Name:	hycanthone
Formula:	C20 H24 N2 O2 S
SMILES:	N(CCN(CC)CC)c2c3C(c1ccccc1Sc3c(cc2)CO)=O
InChi:	InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3
Synonyms:	1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one
Definition date:	2019-11-04
Last modified:	2020-06-17
Release date:	2020-02-19
Identifier:	1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one

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

QI9

QI9
Name:	Quinine
Formula:	C20 H24 N2 O2
SMILES:	O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C
InChi:	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
Synonyms:	(3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol
Definition date:	2014-10-15
Last modified:	2020-06-17
Release date:	2015-01-14
Identifier:	(3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol

QIC

QIC
Name:	(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
Formula:	C7 H12 O6
SMILES:	O=C(O)C1(O)CC(O)C(O)C(O)C1
InChi:	InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1
Synonyms:	Quinic acid
Definition date:	2009-10-02
Last modified:	2020-06-17
Identifier:	(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid

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

5HM

5HM
Name:	5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
Formula:	C10 H16 N3 O9 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(=C1)CO)C(O)C2O
InChi:	InChI=1S/C10H16N3O9P/c11-8-4(2-14)1-13(10(17)12-8)9-7(16)6(15)5(22-9)3-21-23(18,19)20/h1,5-7,9,14-16H,2-3H2,(H2,11,12,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
Synonyms:	5-hydroxymethylcytidine 5'-monophosphate
Definition date:	2014-01-22
Last modified:	2020-06-17
Release date:	2014-06-25
Identifier:	5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)

5HN

5HN
Name:	5-hydroxypyridine-3-carboxylic acid
Formula:	C6 H5 N O3
SMILES:	O=C(O)c1cncc(O)c1
InChi:	InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)
Synonyms:	5-Hydroxynicotinic Acid
Definition date:	2012-10-01
Last modified:	2020-06-17
Release date:	2013-09-18
Identifier:	5-hydroxypyridine-3-carboxylic acid

5HV

5HV
Name:	N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide
Formula:	C36 H38 F4 N4 O2 S
SMILES:	CCN(CC)CCN(Cc2ccc(c1ccc(C(F)(F)F)cc1)cc2)C(=O)CN3C(=NC(C4=C3CCC4)=O)SCc5ccc(cc5)F
InChi:	InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
Synonyms:	Darapladib
Definition date:	2015-09-28
Last modified:	2020-06-17
Release date:	2016-06-15
Identifier:	N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide

5I5

5I5
Name:	7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
Formula:	C11 H13 I N4 O3
SMILES:	Ic2c1c(ncnc1n(c2)C3OC(C(O)C3O)C)N
InChi:	InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
Synonyms:	5'-DEOXY-5-IODOTUBERCIDIN
Definition date:	2006-10-20
Last modified:	2020-06-17
Identifier:	7-(5-deoxy-beta-D-ribofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5ID

5ID
Name:	(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL
Formula:	C11 H13 I N4 O4
SMILES:	Ic2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
InChi:	InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
Synonyms:	5-IODOTUBERCIDIN
Definition date:	2005-10-16
Last modified:	2020-06-17
Identifier:	5-iodo-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5IQ

5IQ
Name:	ISOQUINOLIN-5-AMINE
Formula:	C9 H8 N2
SMILES:	n2ccc1c(cccc1N)c2
InChi:	InChI=1S/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2
Synonyms:	5-AMINOISOQUINOLINE
Definition date:	2005-11-18
Last modified:	2020-06-17
Identifier:	isoquinolin-5-amine

5J6

5J6
Name:	methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate
Formula:	C20 H18 Br F N4 O3 S
SMILES:	Fc1cc(Br)c(cc1)c3nc(c2sccn2)nc(c3C(OC)=O)CN4CCOCC4
InChi:	InChI=1S/C20H18BrFN4O3S/c1-28-20(27)16-15(11-26-5-7-29-8-6-26)24-18(19-23-4-9-30-19)25-17(16)13-3-2-12(22)10-14(13)21/h2-4,9-10H,5-8,11H2,1H3
Synonyms:	NVR10-001E2
Definition date:	2015-09-29
Last modified:	2020-06-17
Release date:	2015-12-09
Identifier:	methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate

5JK

5JK
Name:	7alpha-hydroxycholesterol
Formula:	C27 H46 O2
SMILES:	CC34CCC2C1(CCC(O)CC1=CC(C2C3CCC4C(C)CCCC(C)C)O)C
InChi:	InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
Synonyms:	(3beta,7alpha,9beta,14beta)-cholest-5-ene-3,7-diol
Definition date:	2015-10-02
Last modified:	2020-06-17
Release date:	2016-04-13
Identifier:	(3beta,7alpha,9beta,14beta)-cholest-5-ene-3,7-diol

5JO

5JO
Name:	2'-O-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate)
Formula:	C13 H16 N5 O7 P
SMILES:	O(CC1C(O)C(OCC#C)C(O1)n2c3c(nc2)c(N)ncn3)P(O)(O)=O
InChi:	InChI=1S/C13H16N5O7P/c1-2-3-23-10-9(19)7(4-24-26(20,21)22)25-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19H,3-4H2,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,13-/m1/s1
Synonyms:	2'-Propargyl-Adenosine
Definition date:	2015-10-02
Last modified:	2020-06-17
Release date:	2015-12-02
Identifier:	2'-O-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate)

LPE

LPE
Name:	1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:	C26 H57 N O6 P
SMILES:	O=P(OCC(O)COCCCCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
InChi:	InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/p+1/t26-/m1/s1
Synonyms:	LPC-ETHER
Definition date:	2002-03-29
Last modified:	2020-06-17
Identifier:	(4S,7R)-4,7-dihydroxy-N,N,N-trimethyl-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide

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