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1T7

1T7
Name:	3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid
Formula:	C29 H26 N4 O2
SMILES:	O=C(O)c1ccccc1c2cc(cc(N)c2)C5Nc3ccc(C(=[N@H])N)cc3C(c4ccccc4)C5
InChi:	InChI=1S/C29H26N4O2/c30-21-13-19(22-8-4-5-9-23(22)29(34)35)12-20(14-21)27-16-24(17-6-2-1-3-7-17)25-15-18(28(31)32)10-11-26(25)33-27/h1-15,24,27,33H,16,30H2,(H3,31,32)(H,34,35)/t24-,27+/m1/s1
Definition date:	2013-11-04
Last modified:	2014-02-07
Release date:	2014-02-12
Identifier:	3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid

RUX

RUX
Name:	[4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium
Formula:	C29 H24 N4 O5 Ru
SMILES:	O=C(Oc1c(OC)cccc1OC)C2(C=CC=C2)[Ru]5([C-]#[O+])n6c(c4cc3c(nc(nc3cc45)C)N)cccc6
InChi:	InChI=1S/C14H11N4.C14H13O4.CO.Ru/c1-9-17-13-6-5-10(8-11(13)14(15)18-9)12-4-2-3-7-16-12
Definition date:	2013-09-19
Last modified:	2014-02-07
Release date:	2014-02-12
Identifier:	[4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium

RO9

RO9
Name:	1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine
Formula:	C20 H18 N4 O
SMILES:	n2c(c1cccc(OC)c1)c4c(cc2Nc3nnc(c3)C)cccc4
InChi:	InChI=1S/C20H18N4O/c1-13-10-19(24-23-13)21-18-12-14-6-3-4-9-17(14)20(22-18)15-7-5-8-16(11-15)25-2/h3-12H,1-2H3,(H2,21,22,23,24)
Definition date:	2013-06-09
Last modified:	2014-01-31
Release date:	2014-02-05
Identifier:	1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine

2O3

2O3
Name:	(3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
Formula:	C22 H26 N4 O2
SMILES:	O=C2Nc1cccc(c1NC2C)C(=O)NCCCN4c3ccccc3CCC4
InChi:	InChI=1S/C22H26N4O2/c1-15-21(27)25-18-10-4-9-17(20(18)24-15)22(28)23-12-6-14-26-13-5-8-16-7-2-3-11-19(16)26/h2-4,7,9-11,15,24H,5-6,8,12-14H2,1H3,(H,23,28)(H,25,27)/t15-/m1/s1
Definition date:	2013-12-12
Last modified:	2014-01-24
Release date:	2014-01-29
Identifier:	(3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

2O4

2O4
Name:	(3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
Formula:	C23 H28 N4 O3
SMILES:	O=C2Nc1cccc(c1NC2C)C(=O)NCCCN4c3cc(OC)ccc3CCC4
InChi:	InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1
Definition date:	2013-12-12
Last modified:	2014-01-24
Release date:	2014-01-29
Identifier:	(3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

1ES

1ES
Name:	2-(1-methyl-1H-indol-3-yl)ethanamine
Formula:	C11 H14 N2
SMILES:	c1cccc2c1c(cn2C)CCN
InChi:	InChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3
Definition date:	2013-01-08
Last modified:	2014-01-24
Release date:	2014-01-29
Identifier:	2-(1-methyl-1H-indol-3-yl)ethanamine

LM5

LM5
Name:	(3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide
Formula:	C13 H18 N2 O3
SMILES:	O=C(NCc1ccccc1)C2NC(C)C(O)C2O
InChi:	InChI=1S/C13H18N2O3/c1-8-11(16)12(17)10(15-8)13(18)14-7-9-5-3-2-4-6-9/h2-6,8,10-12,15-17H,7H2,1H3,(H,14,18)/t8-,10+,11+,12-/m0/s1
Definition date:	2013-03-22
Last modified:	2014-01-17
Release date:	2014-01-22
Identifier:	(3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide

8HC

8HC
Name:	8-hydroxyquinoline-2-carboxylic acid
Formula:	C10 H7 N O3
SMILES:	O=C(O)c1nc2c(O)cccc2cc1
InChi:	InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)
Definition date:	2013-08-08
Last modified:	2014-01-03
Release date:	2014-01-08
Identifier:	8-hydroxyquinoline-2-carboxylic acid

2KE

2KE
Name:	(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide
Formula:	C29 H33 N5 O5 S
SMILES:	O=S(=O)(N)c1cccc(c1)CNC(=O)C(c2ccc(OC(C)C)c(OCC)c2)Nc4cc3ccnc(c3cc4)N
InChi:	InChI=1S/C29H33N5O5S/c1-4-38-26-16-21(8-11-25(26)39-18(2)3)27(34-22-9-10-24-20(15-22)12-13-32-28(24)30)29(35)33-17-19-6-5-7-23(14-19)40(31,36)37/h5-16,18,27,34H,4,17H2,1-3H3,(H2,30,32)(H,33,35)(H2,31,36,37)/t27-/m1/s1
Definition date:	2013-11-18
Last modified:	2014-01-03
Release date:	2014-01-08
Identifier:	(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide

2KF

2KF
Name:	(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
Formula:	C32 H38 N4 O5 S
SMILES:	O=S(=O)(c1ccccc1CNC(=O)C(c2ccc(OC(C)C)c(OCC)c2)Nc4cc3ccnc(c3cc4)N)C(C)C
InChi:	InChI=1S/C32H38N4O5S/c1-6-40-28-18-23(11-14-27(28)41-20(2)3)30(36-25-12-13-26-22(17-25)15-16-34-31(26)33)32(37)35-19-24-9-7-8-10-29(24)42(38,39)21(4)5/h7-18,20-21,30,36H,6,19H2,1-5H3,(H2,33,34)(H,35,37)/t30-/m1/s1
Definition date:	2013-11-18
Last modified:	2014-01-03
Release date:	2014-01-08
Identifier:	(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide

XXK

XXK
Name:	3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol
Formula:	C19 H17 N5 O3
SMILES:	n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cc(N)cc(O)c5
InChi:	InChI=1S/C19H17N5O3/c20-12-8-11(9-13(25)10-12)17-22-15-14-2-1-3-21-19(14)27-16(15)18(23-17)24-4-6-26-7-5-24/h1-3,8-10,25H,4-7,20H2
Definition date:	2013-06-18
Last modified:	2013-12-27
Release date:	2014-01-01
Identifier:	3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol

PV2

PV2
Name:	4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol
Formula:	C14 H13 N O4 S
SMILES:	O=S(=O)(c1ccc(O)cc1O)N3Cc2ccccc2C3
InChi:	InChI=1S/C14H13NO4S/c16-12-5-6-14(13(17)7-12)20(18,19)15-8-10-3-1-2-4-11(10)9-15/h1-7,16-17H,8-9H2
Definition date:	2013-09-13
Last modified:	2013-12-27
Release date:	2014-01-01
Identifier:	4-(1,3-dihydro-2H-isoindol-2-ylsulfonyl)benzene-1,3-diol

2EY

2EY
Name:	4-{(1R)-1-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1H)-one
Formula:	C19 H15 Cl N4 O2
SMILES:	O=C4Nc1ccccc1C(OC(c3nnn(c2ccc(Cl)cc2)c3)C)=C4
InChi:	InChI=1S/C19H15ClN4O2/c1-12(17-11-24(23-22-17)14-8-6-13(20)7-9-14)26-18-10-19(25)21-16-5-3-2-4-15(16)18/h2-12H,1H3,(H,21,25)/t12-/m1/s1
Definition date:	2013-10-03
Last modified:	2013-12-27
Release date:	2014-01-01
Identifier:	4-{(1R)-1-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1H)-one

2F1

2F1
Name:	1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
Formula:	C19 H21 Br N2 O
SMILES:	Brc2ccc(NC(=O)NC(c1cccc(/C(=C)C)c1)(C)C)cc2
InChi:	InChI=1S/C19H21BrN2O/c1-13(2)14-6-5-7-15(12-14)19(3,4)22-18(23)21-17-10-8-16(20)9-11-17/h5-12H,1H2,2-4H3,(H2,21,22,23)
Definition date:	2013-10-03
Last modified:	2013-12-27
Release date:	2014-01-01
Identifier:	1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea

2C6

2C6
Name:	3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
Formula:	C25 H25 N5 O3 S
SMILES:	O=C4c5ccccc5N=C(SCCC(=O)NC3CCC(c1nnc(o1)c2ccccc2)CC3)N4
InChi:	InChI=1S/C25H25N5O3S/c31-21(14-15-34-25-27-20-9-5-4-8-19(20)22(32)28-25)26-18-12-10-17(11-13-18)24-30-29-23(33-24)16-6-2-1-3-7-16/h1-9,17-18H,10-15H2,(H,26,31)(H,27,28,32)/t17-,18-
Definition date:	2013-09-19
Last modified:	2013-12-20
Release date:	2013-12-25
Identifier:	3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide

2C8

2C8
Name:	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
Formula:	C25 H19 N5 O3
SMILES:	O=C1c5ccccc5N=C(N1)CCC(=O)Nc4ccc(c2nnc(o2)c3ccccc3)cc4
InChi:	InChI=1S/C25H19N5O3/c31-22(15-14-21-27-20-9-5-4-8-19(20)23(32)28-21)26-18-12-10-17(11-13-18)25-30-29-24(33-25)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,31)(H,27,28,32)
Definition date:	2013-09-19
Last modified:	2013-12-20
Release date:	2013-12-25
Identifier:	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

2D6

2D6
Name:	N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide
Formula:	C24 H24 N4 O3 S
SMILES:	N#Cc4ccc(OC3CCC(NC(=O)CCSC2=Nc1c(cccc1)C(=O)N2)CC3)cc4
InChi:	InChI=1S/C24H24N4O3S/c25-15-16-5-9-18(10-6-16)31-19-11-7-17(8-12-19)26-22(29)13-14-32-24-27-21-4-2-1-3-20(21)23(30)28-24/h1-6,9-10,17,19H,7-8,11-14H2,(H,26,29)(H,27,28,30)/t17-,19-
Definition date:	2013-09-23
Last modified:	2013-12-20
Release date:	2013-12-25
Identifier:	N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide

2NW

2NW
Name:	3-bromoquinolin-4-amine
Formula:	C9 H7 Br N2
SMILES:	Brc1c(c2ccccc2nc1)N
InChi:	InChI=1S/C9H7BrN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12)
Definition date:	2013-12-11
Last modified:	2013-12-20
Release date:	2013-12-25
Identifier:	3-bromoquinolin-4-amine

2NY

2NY
Name:	N~2~,N~2~-diethylquinazoline-2,4-diamine
Formula:	C12 H16 N4
SMILES:	n2c1c(cccc1)c(nc2N(CC)CC)N
InChi:	InChI=1S/C12H16N4/c1-3-16(4-2)12-14-10-8-6-5-7-9(10)11(13)15-12/h5-8H,3-4H2,1-2H3,(H2,13,14,15)
Definition date:	2013-12-11
Last modified:	2013-12-20
Release date:	2013-12-25
Identifier:	N~2~,N~2~-diethylquinazoline-2,4-diamine

1JY

1JY
Name:	N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid
Formula:	C32 H33 N5 O10
SMILES:	O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(CC#C)C4c3c(cc2c(C(=O)N=C(N2)CO)c3)CC4)CCC(=O)O
InChi:	InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1
Definition date:	2013-02-22
Last modified:	2013-12-20
Release date:	2013-12-25
Identifier:	N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid

Y1Z

Y1Z
Name:	2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide
Formula:	C26 H23 Cl N6 O3 S
SMILES:	Clc1ccccc1S(=O)(=O)Nc5cc(c4nn2c(nnc2C)c3ccccc34)ccc5N6CCOCC6
InChi:	InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3
Definition date:	2013-11-26
Last modified:	2013-12-13
Release date:	2013-12-18
Identifier:	2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide

12O

12O
Name:	(1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid
Formula:	C26 H26 N2 O5
SMILES:	O=C(O)C5CCCCC5C(=O)N2C(c1c(cccc1)CC2)CN4C(=O)c3ccccc3C4=O
InChi:	InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21-,22-/m1/s1
Definition date:	2013-01-03
Last modified:	2013-12-13
Release date:	2013-12-18
Identifier:	(1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid

2GQ

2GQ
Name:	3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one
Formula:	C13 H14 N2 O
SMILES:	O=C2c1ccccc1C=C(N2)N3CCCC3
InChi:	InChI=1S/C13H14N2O/c16-13-11-6-2-1-5-10(11)9-12(14-13)15-7-3-4-8-15/h1-2,5-6,9H,3-4,7-8H2,(H,14,16)
Definition date:	2013-10-16
Last modified:	2013-12-13
Release date:	2013-12-18
Identifier:	3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one

2LL

2LL
Name:	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole
Formula:	C26 H30 N4 O2
SMILES:	O1CCN(CC1)CCn2c5c(nc2CCc3ccccc3)cc(c4c(onc4C)C)cc5
InChi:	InChI=1S/C26H30N4O2/c1-19-26(20(2)32-28-19)22-9-10-24-23(18-22)27-25(11-8-21-6-4-3-5-7-21)30(24)13-12-29-14-16-31-17-15-29/h3-7,9-10,18H,8,11-17H2,1-2H3
Definition date:	2013-11-27
Last modified:	2013-12-13
Release date:	2013-12-18
Identifier:	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole

2LO

2LO
Name:	2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole
Formula:	C28 H33 Cl N4 O3
SMILES:	Clc1c(OC)ccc(c1)CCc4nc3cc(c2c(onc2C)C)ccc3n4CC(N5CCOCC5)C
InChi:	InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
Definition date:	2013-11-27
Last modified:	2013-12-13
Release date:	2013-12-18
Identifier:	2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole

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