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40Z

40Z
Name:	2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5H-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide
Formula:	C25 H26 Cl N3 O3
SMILES:	O=C(N)c2cc3N(CCc4c(c1C(=O)CC(C)(C)Cc1n4c3cc2Cl)C)Cc5occc5
InChi:	InChI=1S/C25H26ClN3O3/c1-14-18-6-7-28(13-15-5-4-8-32-15)19-9-16(24(27)31)17(26)10-20(19)29(18)21-11-25(2,3)12-22(30)23(14)21/h4-5,8-10H,6-7,11-13H2,1-3H3,(H2,27,31)
Definition date:	2015-01-08
Last modified:	2015-02-27
Release date:	2015-03-04
Identifier:	2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5H-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide

45E

45E
Name:	1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
Formula:	C22 H26 N2 O5
SMILES:	O=C(N2CCN(C(=O)c1cccc(OC)c1OC)CC2)COc3cc(ccc3)C
InChi:	InChI=1S/C22H26N2O5/c1-16-6-4-7-17(14-16)29-15-20(25)23-10-12-24(13-11-23)22(26)18-8-5-9-19(27-2)21(18)28-3/h4-9,14H,10-13,15H2,1-3H3
Definition date:	2014-12-03
Last modified:	2015-02-27
Release date:	2015-03-04
Identifier:	1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone

FK1

FK1
Name:	6-bromo-1H-indole
Formula:	C8 H6 Br N
SMILES:	Brc1ccc2c(c1)ncc2
InChi:	InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
Definition date:	2014-07-02
Last modified:	2015-02-27
Release date:	2015-03-04
Identifier:	6-bromo-1H-indole

2HZ

2HZ
Name:	(2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid
Formula:	C15 H11 N O4
SMILES:	O=[N+]([O-])c2cc(c1cccc(/C=CC(=O)O)c1)ccc2
InChi:	InChI=1S/C15H11NO4/c17-15(18)8-7-11-3-1-4-12(9-11)13-5-2-6-14(10-13)16(19)20/h1-10H,(H,17,18)/b8-7-
Definition date:	2013-12-09
Last modified:	2015-02-27
Release date:	2015-03-04
Identifier:	(2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid

HXJ

HXJ
Name:	2-[[(E,2S,3R)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
Formula:	C21 H44 N2 O6 P
SMILES:	O=P(OCC(NC(=O)CCCCC)C(O)/C=C/CCCCC)(OCC[N+](C)(C)C)O
InChi:	InChI=1S/C21H43N2O6P/c1-6-8-10-11-13-14-20(24)19(22-21(25)15-12-9-7-2)18-29-30(26,27)28-17-16-23(3,4)5/h13-14,19-20,24H,6-12,15-18H2,1-5H3,(H-,22,25,26,27)/p+1/b14-13+/t19-,20+/m0/s1
Definition date:	2014-07-11
Last modified:	2015-02-27
Release date:	2015-03-04
Identifier:	(4S,7S)-4-hydroxy-7-[(1R,2E)-1-hydroxyoct-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphatetradecan-1-aminium 4-oxide

HXY

HXY
Name:	1-(4-bromobenzyl)pyrrolidine
Formula:	C11 H14 Br N
SMILES:	Brc1ccc(cc1)CN2CCCC2
InChi:	InChI=1S/C11H14BrN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2
Definition date:	2014-07-02
Last modified:	2015-02-27
Release date:	2015-03-04
Identifier:	1-(4-bromobenzyl)pyrrolidine

J47

J47
Name:	5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile
Formula:	C13 H7 Br Cl N O2
SMILES:	Brc2cc(C#N)c(Oc1ccc(Cl)cc1O)cc2
InChi:	InChI=1S/C13H7BrClNO2/c14-9-1-3-12(8(5-9)7-16)18-13-4-2-10(15)6-11(13)17/h1-6,17H
Definition date:	2014-10-27
Last modified:	2015-02-27
Release date:	2015-03-04
Identifier:	5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile

0JC

0JC
Name:	Di-mu-iodobis(ethylenediamine)diplatinum(II)
Formula:	C4 H16 I2 N4 Pt2
SMILES:	[Pt+]12(NCCN1)I[Pt+]3(I2)NCCN3
InChi:	InChI=1S/2C2H8N2.2HI.2Pt/c2*3-1-2-4
Definition date:	2012-01-22
Last modified:	2015-02-26
Release date:	2012-11-30
Identifier:	6$l^{2},12$l^{2}-diioda-1$l^{4},4$l^{4},8$l^{4},11$l^{4}-tetraza-5$l^{4},7$l^{4}-diplatinadispiro[4.1.4^{7}.1^{5}]dodecane

WS1

WS1
Name:	6-(1-beta-D-Glucopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide
Formula:	C22 H28 N4 O12
SMILES:	O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)CNC(=O)c3nc(ccc3)COC4OC(C(O)C(O)C4O)CO
InChi:	InChI=1S/C22H28N4O12/c27-7-12-15(30)16(31)18(33)21(38-12)36-8-9-2-1-3-10(24-9)19(34)23-6-11-14(29)17(32)20(37-11)26-5-4-13(28)25-22(26)35/h1-5,11-12,14-18,20-21,27,29-33H,6-8H2,(H,23,34)(H,25,28,35)/t11-,12+,14-,15-,16-,17-,18-,20-,21-/m1/s1
Definition date:	2013-04-29
Last modified:	2015-02-25
Release date:	2013-09-11
Identifier:	5'-deoxy-5'-[({6-[(alpha-L-talopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine

WS2

WS2
Name:	6-(1-beta-D-Galactopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide
Formula:	C22 H28 N4 O12
SMILES:	O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)CNC(=O)c3nc(ccc3)COC4OC(C(O)C(O)C4O)CO
InChi:	InChI=1S/C22H28N4O12/c27-7-12-15(30)16(31)18(33)21(38-12)36-8-9-2-1-3-10(24-9)19(34)23-6-11-14(29)17(32)20(37-11)26-5-4-13(28)25-22(26)35/h1-5,11-12,14-18,20-21,27,29-33H,6-8H2,(H,23,34)(H,25,28,35)/t11-,12-,14-,15+,16+,17-,18+,20-,21-/m1/s1
Definition date:	2013-08-16
Last modified:	2015-02-25
Release date:	2013-09-11
Identifier:	5'-deoxy-5'-[({6-[(beta-D-talopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine

YUK

YUK
Name:	2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1H-imidazol-1-yl)isoquinolin-1-yl]benzamide
Formula:	C31 H29 N5 O2
SMILES:	O=C(N)c2ccc(cc2NC1CCC(O)CC1)c4nccc3c(cccc34)n5cc(nc5)c6ccccc6
InChi:	InChI=1S/C31H29N5O2/c32-31(38)26-14-9-21(17-27(26)35-22-10-12-23(37)13-11-22)30-25-7-4-8-29(24(25)15-16-33-30)36-18-28(34-19-36)20-5-2-1-3-6-20/h1-9,14-19,22-23,35,37H,10-13H2,(H2,32,38)/t22-,23-
Definition date:	2014-02-05
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1H-imidazol-1-yl)isoquinolin-1-yl]benzamide

RW2

RW2
Name:	(1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid
Formula:	C15 H19 N2 O9 P
SMILES:	O=C(O)C2=C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC(C(=O)O)C2
InChi:	InChI=1S/C15H19N2O9P/c1-7-13(18)11(9(4-16-7)6-26-27(23,24)25)5-17-12-3-8(14(19)20)2-10(12)15(21)22/h4,8,17-18H,2-3,5-6H2,1H3,(H,19,20)(H,21,22)(H2,23,24,25)/t8-/m0/s1
Definition date:	2015-02-10
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	(1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid

WC1

WC1
Name:	(2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid)
Formula:	C21 H27 N O6 P2
SMILES:	O=P(O)(O)C(P(=O)(O)O)Cc2c1cc(ccc1nc2C(C)C(C)C)c3ccccc3
InChi:	InChI=1S/C21H27NO6P2/c1-13(2)14(3)21-18(12-20(29(23,24)25)30(26,27)28)17-11-16(9-10-19(17)22-21)15-7-5-4-6-8-15/h4-11,13-14,20,22H,12H2,1-3H3,(H2,23,24,25)(H2,26,27,28)/t14-/m0/s1
Definition date:	2014-08-05
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	(2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid)

KTC

KTC
Name:	10-oxooctadecanoic acid
Formula:	C18 H34 O3
SMILES:	O=C(O)CCCCCCCCC(=O)CCCCCCCC
InChi:	InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
Definition date:	2014-06-20
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	10-oxooctadecanoic acid

M8A

M8A
Name:	benzyl (2R)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate
Formula:	C22 H24 N2 O4
SMILES:	O=CCCc1ccc(cc1)NC(=O)C3N(C(=O)OCc2ccccc2)CCC3
InChi:	InChI=1S/C22H24N2O4/c25-15-5-8-17-10-12-19(13-11-17)23-21(26)20-9-4-14-24(20)22(27)28-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,15,20H,4-5,8-9,14,16H2,(H,23,26)/t20-/m1/s1
Definition date:	2014-08-27
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	benzyl (2R)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate

3TE

3TE
Name:	2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
Formula:	C22 H20 N4 O S2
SMILES:	O=C(Nc1ncc(s1)Cc3c2ccccc2ccc3)CSc4nc(cc(n4)C)C
InChi:	InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
Definition date:	2014-10-23
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

3GF

3GF
Name:	6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
Formula:	C24 H23 N5
SMILES:	n4nc(c2cc1ccccc1cc2)c(c3ccncc3)cc4N5CCN(C)CC5
InChi:	InChI=1S/C24H23N5/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3
Definition date:	2014-08-15
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine

3ZG

3ZG
Name:	1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
Formula:	C16 H18 N4 O2
SMILES:	O=C(N1CCCC1)CNC(=O)Nc3cc2ccncc2cc3
InChi:	InChI=1S/C16H18N4O2/c21-15(20-7-1-2-8-20)11-18-16(22)19-14-4-3-13-10-17-6-5-12(13)9-14/h3-6,9-10H,1-2,7-8,11H2,(H2,18,19,22)
Definition date:	2014-12-17
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea

43T

43T
Name:	3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide
Formula:	C24 H29 F N4 O2
SMILES:	O=C(NC(c1ccccc1)C)c2cc(cc(F)c2)CN3C(=NC(CC3=O)(C)C(C)C)N
InChi:	InChI=1S/C24H29FN4O2/c1-15(2)24(4)13-21(30)29(23(26)28-24)14-17-10-19(12-20(25)11-17)22(31)27-16(3)18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3,(H2,26,28)(H,27,31)/t16-,24-/m0/s1
Definition date:	2015-01-30
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide

CWK

CWK
Name:	3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile
Formula:	C19 H18 Cl N O6
SMILES:	N#Cc1ccc(cc1)c3ccc(OC2OC(C(O)C(O)C2O)CO)c(Cl)c3
InChi:	InChI=1S/C19H18ClNO6/c20-13-7-12(11-3-1-10(8-21)2-4-11)5-6-14(13)26-19-18(25)17(24)16(23)15(9-22)27-19/h1-7,15-19,22-25H,9H2/t15-,16-,17+,18+,19+/m1/s1
Definition date:	2014-03-10
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile

CWX

CWX
Name:	4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide
Formula:	C19 H23 N O8 S
SMILES:	O=S(=O)(NC)c1ccc(cc1)c3ccc(OC2OC(C(O)C(O)C2O)CO)cc3
InChi:	InChI=1S/C19H23NO8S/c1-20-29(25,26)14-8-4-12(5-9-14)11-2-6-13(7-3-11)27-19-18(24)17(23)16(22)15(10-21)28-19/h2-9,15-24H,10H2,1H3/t15-,16-,17+,18-,19+/m1/s1
Definition date:	2014-03-10
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	4'-(alpha-D-glucopyranosyloxy)-N-methylbiphenyl-4-sulfonamide

0AC

0AC
Name:	(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid
Formula:	C12 H17 N O3
SMILES:	O=C(O)CCC(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C12H17NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11-/m0/s1
Definition date:	2007-11-10
Last modified:	2015-02-18
Identifier:	(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid

FOG

FOG
Name:	(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid
Formula:	C12 H17 N O3
SMILES:	O=C(O)CCC(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C12H17NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11-/m0/s1
Definition date:	1999-07-08
Last modified:	2015-02-18
Identifier:	(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid

TOD

TOD
Name:	(2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid
Formula:	C16 H22 N2 O6
SMILES:	O=C(NO)C(O)C(C(=O)NC(C(=O)O)c1ccccc1)CC(C)C
InChi:	InChI=1S/C16H22N2O6/c1-9(2)8-11(13(19)15(21)18-24)14(20)17-12(16(22)23)10-6-4-3-5-7-10/h3-7,9,11-13,19,24H,8H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)/t11-,12+,13+/m1/s1
Definition date:	2014-12-02
Last modified:	2015-02-13
Release date:	2015-02-18
Identifier:	(2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid

3SQ

3SQ
Name:	4-(4-fluorophenyl)-1H-imidazole
Formula:	C9 H7 F N2
SMILES:	Fc2ccc(c1ncnc1)cc2
InChi:	InChI=1S/C9H7FN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
Definition date:	2014-10-20
Last modified:	2015-02-13
Release date:	2015-02-18
Identifier:	4-(4-fluorophenyl)-1H-imidazole

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