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4L2

4L2
Name:	1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one
Formula:	C16 H18 N2 O2
SMILES:	O=C1CCCCN1c3cc2N(C)C(=O)C=C(C)c2cc3
InChi:	InChI=1S/C16H18N2O2/c1-11-9-16(20)17(2)14-10-12(6-7-13(11)14)18-8-4-3-5-15(18)19/h6-7,9-10H,3-5,8H2,1-2H3
Definition date:	2015-04-05
Last modified:	2015-05-15
Release date:	2015-05-20
Identifier:	1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one

4L3

4L3
Name:	tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
Formula:	C27 H31 N3 O4
SMILES:	CC1=CC(=O)N(C)c2c1ccc(c2)N3C(=O)CCC(C3c4ccccc4)NC(=O)OC(C)(C)C
InChi:	InChI=1S/C27H31N3O4/c1-17-15-24(32)29(5)22-16-19(11-12-20(17)22)30-23(31)14-13-21(28-26(33)34-27(2,3)4)25(30)18-9-7-6-8-10-18/h6-12,15-16,21,25H,13-14H2,1-5H3,(H,28,33)/t21-,25+/m0/s1
Definition date:	2015-04-05
Last modified:	2015-05-15
Release date:	2015-05-20
Identifier:	tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate

4LN

4LN
Name:	N-[(2R)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4H-1,2,4-triazol-4-yl)benzamide
Formula:	C22 H22 N6 O2
SMILES:	O=C(NC2(Cc1c3n(nc1CC2)c(ccc3O)C)C)c5ccc(n4cnnc4)cc5
InChi:	InChI=1S/C22H22N6O2/c1-14-3-8-19(29)20-17-11-22(2,10-9-18(17)26-28(14)20)25-21(30)15-4-6-16(7-5-15)27-12-23-24-13-27/h3-8,12-13,29H,9-11H2,1-2H3,(H,25,30)/t22-/m1/s1
Definition date:	2015-04-10
Last modified:	2015-05-15
Release date:	2015-05-20
Identifier:	N-[(2R)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4H-1,2,4-triazol-4-yl)benzamide

4OV

4OV
Name:	(2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C19 H24 N4 O7 S
SMILES:	C(O)(=O)C1=C(C)CSC(N1)C(C(=O)OCC(C(O)=O)N)NC(C(N)c2ccccc2)=O
InChi:	InChI=1S/C19H24N4O7S/c1-9-8-31-16(23-13(9)18(27)28)14(19(29)30-7-11(20)17(25)26)22-15(24)12(21)10-5-3-2-4-6-10/h2-6,11-12,14,16,23H,7-8,20-21H2,1H3,(H,22,24)(H,25,26)(H,27,28)/t11-,12+,14-,16+/m0/s1
Definition date:	2015-04-29
Last modified:	2015-05-15
Release date:	2015-05-20
Identifier:	(2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

IW8

IW8
Name:	1-[(1-acetyl-5-bromo-1H-indol-6-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
Formula:	C25 H28 Br N3 O4 S
SMILES:	O=S(=O)(c2cc1n(C(=O)C)ccc1cc2Br)N4CCC(C(=O)N(c3cc(ccc3)C)CC)CC4
InChi:	InChI=1S/C25H28BrN3O4S/c1-4-28(21-7-5-6-17(2)14-21)25(31)19-8-11-27(12-9-19)34(32,33)24-16-23-20(15-22(24)26)10-13-29(23)18(3)30/h5-7,10,13-16,19H,4,8-9,11-12H2,1-3H3
Definition date:	2014-06-17
Last modified:	2015-05-15
Release date:	2015-05-20
Identifier:	1-[(1-acetyl-5-bromo-1H-indol-6-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide

K2T

K2T
Name:	6-methyl-1,3-benzothiazol-2-amine
Formula:	C8 H8 N2 S
SMILES:	n1c2ccc(cc2sc1N)C
InChi:	InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)
Definition date:	2015-02-12
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	6-methyl-1,3-benzothiazol-2-amine

TII

TII
Name:	(5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane
Formula:	C16 H25 N3 O
SMILES:	CN1CCCC12CN(CC2)c3cc(OC(C)C)cnc3
InChi:	InChI=1S/C16H25N3O/c1-13(2)20-15-9-14(10-17-11-15)19-8-6-16(12-19)5-4-7-18(16)3/h9-11,13H,4-8,12H2,1-3H3/t16-/m1/s1
Definition date:	2015-04-30
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	(5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane

XM0

XM0
Name:	INDAN-2-AMINE
Formula:	C9 H11 N
SMILES:	NC1Cc2ccccc2C1
InChi:	InChI=1S/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2
Definition date:	2015-03-02
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	2,3-dihydro-1H-inden-2-amine

YPN

YPN
Name:	2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL
Formula:	C7 H8 Cl N O S
SMILES:	OCCSc1ccc(Cl)cn1
InChi:	InChI=1S/C7H8ClNOS/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2
Definition date:	2015-03-02
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	2-(5-chloranylpyridin-2-yl)sulfanylethanol

V2Z

V2Z
Name:	3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE
Formula:	C12 H13 N3 O
SMILES:	CCCC1=NC(=CNC1=O)c2cccnc2
InChi:	InChI=1S/C12H13N3O/c1-2-4-10-12(16)14-8-11(15-10)9-5-3-6-13-7-9/h3,5-8H,2,4H2,1H3,(H,14,16)
Definition date:	2015-03-02
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	3-propyl-5-pyridin-3-yl-1H-pyrazin-2-one

TGX

TGX
Name:	7-methyl-2H-1,4-benzothiazin-3(4H)-one
Formula:	C9 H9 N O S
SMILES:	O=C1Nc2c(SC1)cc(cc2)C
InChi:	InChI=1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
Definition date:	2015-02-12
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	7-methyl-2H-1,4-benzothiazin-3(4H)-one

RH2

RH2
Name:	N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide
Formula:	C16 H22 N4 O S
SMILES:	NC(C(NCc1sc(cc1)c2cccnc2)CCCCN)=O
InChi:	InChI=1S/C16H22N4OS/c17-8-2-1-5-14(16(18)21)20-11-13-6-7-15(22-13)12-4-3-9-19-10-12/h3-4,6-7,9-10,14,20H,1-2,5,8,11,17H2,(H2,18,21)/t14-/m0/s1
Definition date:	2014-07-28
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide

ONR

ONR
Name:	4-chloro-2-isoxazol-5-yl-phenol
Formula:	C9 H6 Cl N O2
SMILES:	Oc1ccc(Cl)cc1c2oncc2
InChi:	InChI=1S/C9H6ClNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
Definition date:	2015-03-09
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	4-chloranyl-2-(1,2-oxazol-5-yl)phenol

R4N

R4N
Name:	4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide
Formula:	C25 H21 Cl N2 O4 S
SMILES:	Clc1cccc(CN2C(=O)CSc3ccc(cc23)C(=O)NC[CH]4COc5ccccc5O4)c1
InChi:	InChI=1S/C25H21ClN2O4S/c26-18-5-3-4-16(10-18)13-28-20-11-17(8-9-23(20)33-15-24(28)29)25(30)27-12-19-14-31-21-6-1-2-7-22(21)32-19/h1-11,19H,12-15H2,(H,27,30)/t19-/m0/s1
Definition date:	2015-03-08
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide

KJU

KJU
Name:	6-chloro-2H-1,4-benzoxazin-3(4H)-one
Formula:	C8 H6 Cl N O2
SMILES:	Clc2ccc1OCC(=O)Nc1c2
InChi:	InChI=1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
Definition date:	2015-02-12
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	6-chloro-2H-1,4-benzoxazin-3(4H)-one

RKM

RKM
Name:	(11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium
Formula:	C39 H24 N12 Ru
SMILES:	n3c2ccc1nccnc1c2n(cc3)[Ru]9(n5c4c8c(c6nc7c(nc6c4ccc5)ccc(c7)C)cccn89)nccc(nccn)cccncc
InChi:	InChI=1S/C19H12N4.2C10H6N4.Ru/c1-11-6-7-14-15(10-11)23-19-13-5-3-9-21-17(13)16-12(18(19)22-14)4-2-8-20-16
Definition date:	2014-11-25
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	(11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium

QYD

QYD
Name:	N-(4-NITROPHENYL)-2-PHENYL-THIOMORPHOLINE-4-CARBOXAMIDE
Formula:	C17 H17 N3 O3 S
SMILES:	[O-][N+](=O)c1ccc(NC(=O)N2CCS[CH](C2)c3ccccc3)cc1
InChi:	InChI=1S/C17H17N3O3S/c21-17(18-14-6-8-15(9-7-14)20(22)23)19-10-11-24-16(12-19)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,18,21)/t16-/m1/s1
Definition date:	2015-03-08
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	(2S)-N-(4-nitrophenyl)-2-phenyl-thiomorpholine-4-carboxamide

KWB

KWB
Name:	5-cyclohexyl-2-hydroxybenzoate
Formula:	C13 H15 O3
SMILES:	[O-]C(=O)c1cc(ccc1O)C2CCCCC2
InChi:	InChI=1S/C13H16O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)/p-1
Definition date:	2015-02-12
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	5-cyclohexyl-2-hydroxybenzoate

2WX

2WX
Name:	N-[(R)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
Formula:	C24 H20 Cl N O4 S2
SMILES:	Clc1ccccc1C(c3sc2ccccc2c3)NS(=O)(=O)c5cc4OCCCOc4cc5
InChi:	InChI=1S/C24H20ClNO4S2/c25-19-8-3-2-7-18(19)24(23-14-16-6-1-4-9-22(16)31-23)26-32(27,28)17-10-11-20-21(15-17)30-13-5-12-29-20/h1-4,6-11,14-15,24,26H,5,12-13H2/t24-/m1/s1
Definition date:	2014-03-24
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	N-[(R)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

2WY

2WY
Name:	N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
Formula:	C24 H21 N O5 S
SMILES:	O=S(=O)(c2cc1OCCCOc1cc2)NC(c4oc3ccccc3c4)c5ccccc5
InChi:	InChI=1S/C24H21NO5S/c26-31(27,19-11-12-21-22(16-19)29-14-6-13-28-21)25-24(17-7-2-1-3-8-17)23-15-18-9-4-5-10-20(18)30-23/h1-5,7-12,15-16,24-25H,6,13-14H2/t24-/m1/s1
Definition date:	2014-03-24
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

2WZ

2WZ
Name:	N-[(R)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide
Formula:	C25 H24 Cl F N4 O3 S2
SMILES:	Fc1c(ncc(Cl)c1C(c3sc2c(cccc2c3)c4nccc(c4)C(O)(C)C)NS(=O)(=O)C5CC5)N
InChi:	InChI=1S/C25H24ClFN4O3S2/c1-25(2,32)14-8-9-29-18(11-14)16-5-3-4-13-10-19(35-23(13)16)22(31-36(33,34)15-6-7-15)20-17(26)12-30-24(28)21(20)27/h3-5,8-12,15,22,31-32H,6-7H2,1-2H3,(H2,28,30)/t22-/m0/s1
Definition date:	2014-03-24
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	N-[(R)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide

30S

30S
Name:	2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
Formula:	C15 H14 N4 O4 S
SMILES:	O=S(=O)(O)c1ccccc1COc3c2c(nc(nc2N)N)ccc3
InChi:	InChI=1S/C15H14N4O4S/c16-14-13-10(18-15(17)19-14)5-3-6-11(13)23-8-9-4-1-2-7-12(9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
Definition date:	2014-05-14
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid

33K

33K
Name:	N-benzyl-N-(carboxymethyl)glycyl-L-histidine
Formula:	C17 H20 N4 O5
SMILES:	O=C(O)CN(Cc1ccccc1)CC(=O)NC(C(=O)O)Cc2cncn2
InChi:	InChI=1S/C17H20N4O5/c22-15(20-14(17(25)26)6-13-7-18-11-19-13)9-21(10-16(23)24)8-12-4-2-1-3-5-12/h1-5,7,11,14H,6,8-10H2,(H,18,19)(H,20,22)(H,23,24)(H,25,26)/t14-/m0/s1
Definition date:	2014-06-09
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	N-benzyl-N-(carboxymethyl)glycyl-L-histidine

LWS

LWS
Name:	7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one
Formula:	C15 H15 F N2 O
SMILES:	Cn1cccc1c2cc(F)c3NC(=O)C(C)(C)c3c2
InChi:	InChI=1S/C15H15FN2O/c1-15(2)10-7-9(12-5-4-6-18(12)3)8-11(16)13(10)17-14(15)19/h4-8H,1-3H3,(H,17,19)
Definition date:	2015-03-09
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one

MVJ

MVJ
Name:	5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one
Formula:	C18 H23 N O2
SMILES:	O=C1Nc2ccc(cc2C13CCOCC3)C4CCCCC4
InChi:	InChI=1S/C18H23NO2/c20-17-18(8-10-21-11-9-18)15-12-14(6-7-16(15)19-17)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,20)
Definition date:	2015-03-09
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one

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