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XIM

XIM
Name:	5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
Formula:	C7 H10 N2 O3
SMILES:	n1ccn2c1C(O)C(O)C(O)C2
InChi:	InChI=1S/C7H10N2O3/c10-4-3-9-2-1-8-7(9)6(12)5(4)11/h1-2,4-6,10-12H,3H2/t4-,5+,6-/m1/s1
Synonyms:	XYLOSE-DERIVED IMIDAZOLE
Definition date:	2000-08-17
Last modified:	2020-06-17
Identifier:	(6R,7S,8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

HMO

HMO
Name:	4'-HYDROXY-7-METHOXYISOFLAVONE
Formula:	C16 H12 O4
SMILES:	O=C1c3c(OC=C1c2ccc(O)cc2)cc(OC)cc3
InChi:	InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3
Synonyms:	ISOFORMONONETIN
Definition date:	2000-10-10
Last modified:	2020-06-17
Identifier:	3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one

ZPT

ZPT
Name:	Trichloro(ethene)platinate(II)
Formula:	C2 H4 Cl3 Pt
SMILES:	[Cl-]\|[Pt++]\|1(\|[Cl-])(\|[Cl-])\|C=C\|1
InChi:	InChI=1S/C2H4.3ClH.Pt/c1-2
Synonyms:	Zeise's salt
Definition date:	2016-07-13
Last modified:	2020-06-17
Release date:	2016-09-21

XJ0

XJ0
Name:	(E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID
Formula:	C7 H7 N3 O2
SMILES:	O=C(O)/C=C/c1cnc(nc1)N
InChi:	InChI=1S/C7H7N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h1-4H,(H,11,12)(H2,8,9,10)/b2-1+
Synonyms:	(2E)-3-(2-AMINOPYRIMIDIN-5-YL)PROP-2-ENOIC ACID
Definition date:	2010-07-01
Last modified:	2020-06-17
Identifier:	(2E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic acid

HMX

HMX
Name:	3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide
Formula:	C12 H18 Cl N7 O
SMILES:	NC(N)=NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2
InChi:	InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
Synonyms:	HMA
Definition date:	2018-02-15
Last modified:	2020-06-17
Release date:	2018-12-19
Identifier:	3-azanyl-5-(azepan-1-yl)-~{N}-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide

XX5

XX5
Name:	(S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-4-METHYL-PENTANOIC ACID
Formula:	C19 H23 Cl2 N3 O4
SMILES:	O=C(O)C(NC(C(=O)O)Cc1cncn1Cc2cc(Cl)cc(Cl)c2)CC(C)C
InChi:	InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1
Synonyms:	MLN-4760
Definition date:	2003-10-30
Last modified:	2020-06-17
Identifier:	N-[(1S)-1-carboxy-3-methylbutyl]-3-(3,5-dichlorobenzyl)-L-histidine

VGH

VGH
Name:	3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
Formula:	C21 H22 Cl2 F N5 O
SMILES:	Clc1ccc(F)c(Cl)c1C(Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4)C
InChi:	InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
Synonyms:	CRIZOTINIB
Definition date:	2009-04-20
Last modified:	2020-06-17
Identifier:	3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine

HN5

HN5
Name:	(1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol
Formula:	C20 H31 N O3
SMILES:	OC1CCC(N2C1C(O)C(O)C2)CCc3ccc(cc3)C(C)(C)C
InChi:	InChI=1S/C20H31NO3/c1-20(2,3)14-7-4-13(5-8-14)6-9-15-10-11-16(22)18-19(24)17(23)12-21(15)18/h4-5,7-8,15-19,22-24H,6,9-12H2,1-3H3/t15-,16+,17+,18+,19+/m0/s1
Synonyms:	(1S,2R,5S,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
Definition date:	2008-09-25
Last modified:	2020-06-17
Identifier:	(1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol

HN7

HN7
Name:	1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
Formula:	C20 H29 N O4
SMILES:	O=C(c1ccc(cc1)C(C)(C)C)CC2N3C(C(O)CC2)C(O)C(O)C3
InChi:	InChI=1S/C20H29NO4/c1-20(2,3)13-6-4-12(5-7-13)16(23)10-14-8-9-15(22)18-19(25)17(24)11-21(14)18/h4-7,14-15,17-19,22,24-25H,8-11H2,1-3H3/t14-,15+,17+,18+,19+/m0/s1
Synonyms:	(1S,2R,5S,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
Definition date:	2008-09-25
Last modified:	2020-06-17
Identifier:	1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone

BAI

BAI
Name:	(5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE
Formula:	C16 H14 N6
SMILES:	[N@H]=C(c4ccc1c(nc(n1)Cc2nc3ccccc3n2)c4)N
InChi:	InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
Synonyms:	HEMI-BABIM
Definition date:	1999-08-02
Last modified:	2020-06-17
Identifier:	2-(1H-benzimidazol-2-ylmethyl)-1H-benzimidazole-5-carboximidamide

HNG

HNG
Name:	2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:	C7 H9 N5 O
SMILES:	N2=C(Nc1ncc(c1C2=O)CN)N
InChi:	InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
Synonyms:	PreQ1
Definition date:	2018-07-12
Last modified:	2020-06-17
Release date:	2019-04-10
Identifier:	2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

HNH

HNH
Name:	5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol
Formula:	C10 H12 N2 O
SMILES:	n2cc(C1=CCCN1C)ccc2O
InChi:	InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)
Synonyms:	6-hydroxy-N-Methyl-myosmine
Definition date:	2010-06-29
Last modified:	2020-06-17
Identifier:	5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol

HNQ

HNQ
Name:	5-nitroquinolin-8-ol
Formula:	C9 H6 N2 O3
SMILES:	[O-][N+](=O)c1ccc(O)c2ncccc12
InChi:	InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
Synonyms:	NITROXOLINE
Definition date:	2010-05-26
Last modified:	2020-06-17
Identifier:	5-nitroquinolin-8-ol

WRA

WRA
Name:	6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE
Formula:	C14 H18 Cl3 N5 O2
SMILES:	Clc2cc(OCCCON1C(=NC(=NC1(C)C)N)N)c(Cl)cc2Cl
InChi:	InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21)
Synonyms:	4,6-DIAMINO-1,2-DIHYDRO-2,2-DIMETHYL-1-[(2,4,5-TRICHLOROPHENOXY)PROPYLOXY]-1,3,5-TRIAZINE
Definition date:	2003-02-07
Last modified:	2020-06-17
Identifier:	6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine

XJX

XJX
Name:	Onalespib
Formula:	C24 H31 N3 O3
SMILES:	O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2ccc(cc2C3)CN4CCN(CC4)C
InChi:	InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3
Synonyms:	AT13387
Definition date:	2010-07-06
Last modified:	2020-06-17
Identifier:	[2,4-dihydroxy-5-(propan-2-yl)phenyl]{5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydro-2H-isoindol-2-yl}methanone

XXZ

XXZ
Name:	1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE
Formula:	C20 H22 F N5 O
SMILES:	O=C(c1ccc(cc1)CN)N4CCC3(N=C(c2c(cccc2F)N3)N)CC4
InChi:	InChI=1S/C20H22FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-12,22H2,(H2,23,25)
Synonyms:	AR-C120011
Definition date:	2006-04-27
Last modified:	2020-06-17
Identifier:	1-{[4-(aminomethyl)phenyl]carbonyl}-5'-fluoro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-amine

WRB

WRB
Name:	1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE
Formula:	C14 H20 Br N5 O2
SMILES:	Brc2ccc(OCCCON1C(=NC(=NC1(C)C)N)N)cc2
InChi:	InChI=1S/C14H20BrN5O2/c1-14(2)19-12(16)18-13(17)20(14)22-9-3-8-21-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H4,16,17,18,19)
Synonyms:	BROMO-WR99210
Definition date:	1999-11-29
Last modified:	2020-06-17
Identifier:	1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

BAT

BAT
Name:	4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE
Formula:	C23 H31 N3 O4 S2
SMILES:	O=C(NC)C(NC(=O)C(C(C(=O)NO)CSc1sccc1)CC(C)C)Cc2ccccc2
InChi:	InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
Synonyms:	BATIMASTAT
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(2R,3S)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide

Z81

Z81
Name:	(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
Formula:	C21 H16 F2 N4 O
SMILES:	CN1C(=N[C](C1=O)(c2ccncc2)c3cccc(c3)c4cc(F)ccc4F)N
InChi:	InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m1/s1
Synonyms:	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID
Definition date:	2010-02-05
Last modified:	2020-06-17
Identifier:	(5S)-2-azanyl-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-yl-imidazol-4-one

BAV

BAV
Name:	(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione
Formula:	C29 H49 N3 O3
SMILES:	O=C2NC(C(O)CNCc1cccc(c1)C(C)C)CC(C)CCCCCCCCC(=O)N(C)C2C
InChi:	InChI=1S/C29H49N3O3/c1-21(2)25-15-12-14-24(18-25)19-30-20-27(33)26-17-22(3)13-10-8-6-7-9-11-16-28(34)32(5)23(4)29(35)31-26/h12,14-15,18,21-23,26-27,30,33H,6-11,13,16-17,19-20H2,1-5H3,(H,31,35)/t22-,23+,26+,27-/m1/s1
Synonyms:	(3S,14R,16S)-16-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-3,4,14-trimethyl-1,4diaza-cyclohexadecane-2,5-dione
Definition date:	2008-07-21
Last modified:	2020-06-17
Identifier:	(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione

Z83

Z83
Name:	(4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid
Formula:	C19 H21 N5 O3 S
SMILES:	CC(C)(C)c1cc(NC(=O)Nc2sccn2)n(n1)c3ccc(CC(O)=O)cc3
InChi:	InChI=1S/C19H21N5O3S/c1-19(2,3)14-11-15(21-17(27)22-18-20-8-9-28-18)24(23-14)13-6-4-12(5-7-13)10-16(25)26/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,20,21,22,27)
Synonyms:	2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid
Definition date:	2010-01-24
Last modified:	2020-06-17
Identifier:	2-[4-[3-tert-butyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]ethanoic acid

YOK

YOK
Name:	[[2,2'-[4-CARBOXYETHYL-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON
Formula:	C23 H18 Fe N2 O4
SMILES:	O=C(O)CCc6cc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)cc6
InChi:	InChI=1S/C23H20N2O4.Fe/c26-21-7-3-1-5-17(21)14-24-19-11-9-16(10-12-23(28)29)13-20(19)25-15-18-6-2-4-8-22(18)27
Synonyms:	SALOPHEN-10-PROPIONATE IRON CHELATE
Definition date:	2005-03-09
Last modified:	2020-06-17
Identifier:	{3-[3,4-bis({[2-(hydroxy-kappaO)phenyl]methylidene}amino-kappaN)phenyl]propanoato(2-)}iron(2+)

BAX

BAX
Name:	4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE
Formula:	C21 H16 Cl F3 N4 O3
SMILES:	O=C(c3nccc(Oc2ccc(NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)cc2)c3)NC
InChi:	InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
Synonyms:	Sorafenib
Definition date:	2004-02-05
Last modified:	2020-06-17
Identifier:	4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide

X6D

X6D
Name:	6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE
Formula:	C28 H30 Br Cl N6 O
SMILES:	Clc1ccc(cc1)CN6CCN(c2c(Br)cnc3nc(nc23)c4ccc(cc4)CN5CCOCC5)CC6
InChi:	InChI=1S/C28H30BrClN6O/c29-24-17-31-28-25(26(24)36-11-9-34(10-12-36)18-21-3-7-23(30)8-4-21)32-27(33-28)22-5-1-20(2-6-22)19-35-13-15-37-16-14-35/h1-8,17H,9-16,18-19H2,(H,31,32,33)
Synonyms:	CTT137444
Definition date:	2010-02-17
Last modified:	2020-06-17
Identifier:	6-bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]-3H-imidazo[4,5-b]pyridine

Z87

Z87
Name:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea
Formula:	C18 H21 N5 O S
SMILES:	Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3sccn3)C(C)(C)C
InChi:	InChI=1S/C18H21N5OS/c1-12-5-7-13(8-6-12)23-15(11-14(22-23)18(2,3)4)20-16(24)21-17-19-9-10-25-17/h5-11H,1-4H3,(H2,19,20,21,24)
Synonyms:	1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(thiazol-2-yl)urea
Definition date:	2010-01-24
Last modified:	2020-06-17
Identifier:	1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(1,3-thiazol-2-yl)urea

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