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HK0

HK0
Name:	3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
Formula:	C26 H26 N4 O6
SMILES:	[O-][N+](=O)c1ccc(cc1OC)c4ccc5C(=O)Nc3cccc(OCCN2CCOCC2)c3Nc5c4
InChi:	InChI=1S/C26H26N4O6/c1-34-24-16-18(6-8-22(24)30(32)33)17-5-7-19-21(15-17)27-25-20(28-26(19)31)3-2-4-23(25)36-14-11-29-9-12-35-13-10-29/h2-8,15-16,27H,9-14H2,1H3,(H,28,31)
Definition date:	2012-07-02
Last modified:	2012-09-28
Release date:	2012-09-28
Identifier:	3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

99P

99P
Name:	D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide
Formula:	C20 H24 N4 O2
SMILES:	O=C(NCc1cccnc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:	InChI=1S/C20H24N4O2/c21-17(12-15-6-2-1-3-7-15)20(26)24-11-5-9-18(24)19(25)23-14-16-8-4-10-22-13-16/h1-4,6-8,10,13,17-18H,5,9,11-12,14,21H2,(H,23,25)/t17-,18+/m1/s1
Definition date:	2010-10-19
Last modified:	2012-09-12
Identifier:	D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide

0OT

0OT
Name:	2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one
Formula:	C21 H23 Br2 N3 O2
SMILES:	Brc1cc(c(OCC)c(Br)c1)CNCCCNC3=CC(=O)c2c(cccc2)N3
InChi:	InChI=1S/C21H23Br2N3O2/c1-2-28-21-14(10-15(22)11-17(21)23)13-24-8-5-9-25-20-12-19(27)16-6-3-4-7-18(16)26-20/h3-4,6-7,10-12,24H,2,5,8-9,13H2,1H3,(H2,25,26,27)
Definition date:	2012-04-04
Last modified:	2012-09-07
Release date:	2012-09-07
Identifier:	2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one

0OU

0OU
Name:	2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one
Formula:	C19 H19 Cl2 N3 O
SMILES:	Clc1cc(cc(Cl)c1)CNCCCNC3=CC(=O)c2c(cccc2)N3
InChi:	InChI=1S/C19H19Cl2N3O/c20-14-8-13(9-15(21)10-14)12-22-6-3-7-23-19-11-18(25)16-4-1-2-5-17(16)24-19/h1-2,4-5,8-11,22H,3,6-7,12H2,(H2,23,24,25)
Definition date:	2012-04-04
Last modified:	2012-09-07
Release date:	2012-09-07
Identifier:	2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one

0P6

0P6
Name:	2-aminoquinolin-8-ol
Formula:	C9 H8 N2 O
SMILES:	Oc1cccc2ccc(nc12)N
InChi:	InChI=1S/C9H8N2O/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h1-5,12H,(H2,10,11)
Definition date:	2012-04-05
Last modified:	2012-09-07
Release date:	2012-09-07
Identifier:	2-aminoquinolin-8-ol

0P8

0P8
Name:	2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one
Formula:	C20 H21 Br2 N3 O2
SMILES:	Brc1cc(c(OC)c(Br)c1)CNCCCNC3=CC(=O)c2c(cccc2)N3
InChi:	InChI=1S/C20H21Br2N3O2/c1-27-20-13(9-14(21)10-16(20)22)12-23-7-4-8-24-19-11-18(26)15-5-2-3-6-17(15)25-19/h2-3,5-6,9-11,23H,4,7-8,12H2,1H3,(H2,24,25,26)
Definition date:	2012-04-05
Last modified:	2012-09-07
Release date:	2012-09-07
Identifier:	2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one

TZM

TZM
Name:	3-(1H-1,2,4-triazol-1-ylmethyl)aniline
Formula:	C9 H10 N4
SMILES:	n1cn(nc1)Cc2cc(N)ccc2
InChi:	InChI=1S/C9H10N4/c10-9-3-1-2-8(4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2
Definition date:	2012-07-23
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	3-(1H-1,2,4-triazol-1-ylmethyl)aniline

TQU

TQU
Name:	4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine
Formula:	C11 H9 N5
SMILES:	n1ccc(c2cc(N)ccc12)n3ncnc3
InChi:	InChI=1S/C11H9N5/c12-8-1-2-10-9(5-8)11(3-4-14-10)16-7-13-6-15-16/h1-7H,12H2
Definition date:	2012-07-20
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine

0RU

0RU
Name:	8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one
Formula:	C14 H12 N4 O S
SMILES:	O=C2N=C(Nc1c(cccc12)C)CSc3ncccn3
InChi:	InChI=1S/C14H12N4OS/c1-9-4-2-5-10-12(9)17-11(18-13(10)19)8-20-14-15-6-3-7-16-14/h2-7H,8H2,1H3,(H,17,18,19)
Definition date:	2012-05-07
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one

0T7

0T7
Name:	3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline
Formula:	C25 H24 N4 O
SMILES:	n4c3c(ccc(OCc1nc2c(cc1)cccc2)c3)n5c(c4C)c(nc5CCC)C
InChi:	InChI=1S/C25H24N4O/c1-4-7-24-27-17(3)25-16(2)26-22-14-20(12-13-23(22)29(24)25)30-15-19-11-10-18-8-5-6-9-21(18)28-19/h5-6,8-14H,4,7,15H2,1-3H3
Definition date:	2012-05-31
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline

MQN

MQN
Name:	2-methylquinolin-6-amine
Formula:	C10 H10 N2
SMILES:	n1c(ccc2cc(ccc12)N)C
InChi:	InChI=1S/C10H10N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,11H2,1H3
Definition date:	2012-07-23
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	2-methylquinolin-6-amine

4LL

4LL
Name:	2-(butylamino)quinolin-8-ol
Formula:	C13 H16 N2 O
SMILES:	CCCCNc1ccc2cccc(O)c2n1
InChi:	InChI=1S/C13H16N2O/c1-2-3-9-14-12-8-7-10-5-4-6-11(16)13(10)15-12/h4-8,16H,2-3,9H2,1H3,(H,14,15)
Definition date:	2009-11-20
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	2-(butylamino)quinolin-8-ol

0EC

0EC
Name:	6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine
Formula:	C14 H19 N5 O2
SMILES:	n1c(N)c3c(nc1N2CCNCC2)cc(OC)c(OC)c3
InChi:	InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)
Definition date:	2012-08-02
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine

0X1

0X1
Name:	(5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate
Formula:	C24 H22 N5 O7 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1CNC2=Cc5c(N3C(=O)NN=C23)ccc(Oc4ccccc4)c5)C
InChi:	InChI=1S/C24H22N5O7P/c1-14-22(30)19(16(11-25-14)13-35-37(32,33)34)12-26-20-10-15-9-18(36-17-5-3-2-4-6-17)7-8-21(15)29-23(20)27-28-24(29)31/h2-11,26,30H,12-13H2,1H3,(H,28,31)(H2,32,33,34)
Definition date:	2012-08-16
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	(5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate

13K

13K
Name:	N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine
Formula:	C20 H23 N7 O3
SMILES:	n2c(Nc1ccc(OC)c(OC)c1)cc(nc2N3CCOCC3)c4cnc(nc4)N
InChi:	InChI=1S/C20H23N7O3/c1-28-16-4-3-14(9-17(16)29-2)24-18-10-15(13-11-22-19(21)23-12-13)25-20(26-18)27-5-7-30-8-6-27/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22,23)(H,24,25,26)
Definition date:	2011-09-06
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine

1TS

1TS
Name:	(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide
Formula:	C32 H34 Cl N7 O6 S
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C4N(C(=O)C(NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC(=O)NCc3ccc(C#N)cc3)CCC4
InChi:	InChI=1S/C32H34ClN7O6S/c1-46-28-13-12-24(15-25(28)33)47(44,45)39-26(16-29(41)37-18-21-6-4-20(17-34)5-7-21)32(43)40-14-2-3-27(40)31(42)38-19-22-8-10-23(11-9-22)30(35)36/h4-13,15,26-27,39H,2-3,14,16,18-19H2,1H3,(H3,35,36)(H,37,41)(H,38,42)/t26-,27-/m0/s1
Definition date:	2011-12-08
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	N~2~-[(3-chloro-4-methoxyphenyl)sulfonyl]-N-(4-cyanobenzyl)-L-asparaginyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

EK7

EK7
Name:	9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile
Formula:	C19 H17 N5 O S
SMILES:	N#Cc3sc(c2c1nc(ncc1CCc23)Nc4cccc(O)c4)N(C)C
InChi:	InChI=1S/C19H17N5OS/c1-24(2)18-16-14(15(9-20)26-18)7-6-11-10-21-19(23-17(11)16)22-12-4-3-5-13(25)8-12/h3-5,8,10,25H,6-7H2,1-2H3,(H,21,22,23)
Definition date:	2012-07-06
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile

FPU

FPU
Name:	1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea
Formula:	C26 H24 N4 O4
SMILES:	O=C(Nc3ncc(Oc1c2cc(OC)c(OC)cc2ncc1)cc3)NC5CC5c4ccccc4
InChi:	InChI=1S/C26H24N4O4/c1-32-23-13-19-20(14-24(23)33-2)27-11-10-22(19)34-17-8-9-25(28-15-17)30-26(31)29-21-12-18(21)16-6-4-3-5-7-16/h3-11,13-15,18,21H,12H2,1-2H3,(H2,28,29,30,31)/t18-,21+/m0/s1
Definition date:	2011-10-05
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea

FPW

FPW
Name:	1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide
Formula:	C29 H24 N4 O5
SMILES:	O=C(C1=CC=CN(C1=O)Cc2ccccc2)Nc5ncc(Oc3c4cc(OC)c(OC)cc4ncc3)cc5
InChi:	InChI=1S/C29H24N4O5/c1-36-25-15-22-23(16-26(25)37-2)30-13-12-24(22)38-20-10-11-27(31-17-20)32-28(34)21-9-6-14-33(29(21)35)18-19-7-4-3-5-8-19/h3-17H,18H2,1-2H3,(H,31,32,34)
Definition date:	2011-10-05
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide

I3K

I3K
Name:	N-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine
Formula:	C24 H18 Cl N3 O4
SMILES:	Clc1ccc(cc1)Nc4nc5cc(Oc2c3cc(OC)c(OC)cc3ncc2)ccc5o4
InChi:	InChI=1S/C24H18ClN3O4/c1-29-22-12-17-18(13-23(22)30-2)26-10-9-20(17)31-16-7-8-21-19(11-16)28-24(32-21)27-15-5-3-14(25)4-6-15/h3-13H,1-2H3,(H,27,28)
Definition date:	2012-06-22
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	N-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine

PC2

PC2
Name:	DI-STEAROYL-3-SN-PHOSPHATIDYLCHOLINE
Formula:	C44 H89 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1/t42-/m1/s1
Definition date:	1999-08-31
Last modified:	2012-08-20
Identifier:	(4S,7R)-4-hydroxy-N,N,N-trimethyl-7-(octadecanoyloxy)-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide

0WR

0WR
Name:	2-[1-({2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol
Formula:	C28 H39 N9 O2
SMILES:	n3c(nc1c(nc(n1C)CN2CCC(C(O)(C)C)CC2)c3N4CCOCC4)n5c6ccccc6nc5N(C)C
InChi:	InChI=1S/C28H39N9O2/c1-28(2,38)19-10-12-35(13-11-19)18-22-30-23-24(34(22)5)31-26(32-25(23)36-14-16-39-17-15-36)37-21-9-7-6-8-20(21)29-27(37)33(3)4/h6-9,19,38H,10-18H2,1-5H3
Definition date:	2012-07-31
Last modified:	2012-08-17
Identifier:	2-[1-({2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol

7UP

7UP
Name:	6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide
Formula:	C22 H19 N3
SMILES:	[N@H]=C(N)c4ccc3cc(C#Cc1ccc2c(c1)CCNC2)ccc3c4
InChi:	InChI=1S/C22H19N3/c23-22(24)20-8-7-17-11-15(3-5-18(17)13-20)1-2-16-4-6-21-14-25-10-9-19(21)12-16/h3-8,11-13,25H,9-10,14H2,(H3,23,24)
Definition date:	2012-07-01
Last modified:	2012-08-17
Identifier:	6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide

3HK

3HK
Name:	4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile
Formula:	C25 H26 N4 O3
SMILES:	N#Cc1ccc(cc1)c2nnc5c2Cc4cc(OCCCN3CCOCC3)c(OC)cc45
InChi:	InChI=1S/C25H26N4O3/c1-30-22-15-20-19(14-23(22)32-10-2-7-29-8-11-31-12-9-29)13-21-24(27-28-25(20)21)18-5-3-17(16-26)4-6-18/h3-6,14-15H,2,7-13H2,1H3,(H,27,28)
Definition date:	2012-07-05
Last modified:	2012-08-17
Identifier:	4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile

EK2

EK2
Name:	{4-[4-(3,5-dichlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl}(morpholin-4-yl)methanone
Formula:	C18 H16 Cl2 N4 O2
SMILES:	O=C(c3cc(c2c(c1cc(Cl)cc(Cl)c1)cnn2)cn3)N4CCOCC4
InChi:	InChI=1S/C18H16Cl2N4O2/c19-13-5-11(6-14(20)8-13)15-10-22-23-17(15)12-7-16(21-9-12)18(25)24-1-3-26-4-2-24/h5-10,21H,1-4H2,(H,22,23)
Definition date:	2012-07-06
Last modified:	2012-08-17
Identifier:	{4-[4-(3,5-dichlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrol-2-yl}(morpholin-4-yl)methanone

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