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3BX

3BX
Name:	N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide
Formula:	C26 H30 N2 O5
SMILES:	O=C(NO)C1(CCOCC1)COc4ccc(C#Cc2ccc(cc2)CN3CCOCC3)cc4
InChi:	InChI=1S/C26H30N2O5/c29-25(27-30)26(11-15-31-16-12-26)20-33-24-9-7-22(8-10-24)2-1-21-3-5-23(6-4-21)19-28-13-17-32-18-14-28/h3-10,30H,11-20H2,(H,27,29)
Definition date:	2014-07-21
Last modified:	2014-09-26
Release date:	2014-10-01
Identifier:	N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide

WGG

WGG
Name:	N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide
Formula:	C17 H15 N3 O3
SMILES:	O=C(C2=Nc1c(cccc1)C(=O)N2)NCc3cccc(OC)c3
InChi:	InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
Definition date:	2013-01-22
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide

2J0

2J0
Name:	(10-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(2+)
Formula:	C39 H24 N12 Ru
SMILES:	Cc1cccc2c1nc3c(n2)C4=CC=C[N]5=C4C6=C3C=CC=[N]6[Ru+2]578([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81
InChi:	InChI=1S/C19H12N4.2C10H6N4.Ru/c1-11-5-2-8-14-15(11)23-19-13-7-4-10-21-17(13)16-12(18(19)22-14)6-3-9-20-16
Definition date:	2013-10-24
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	(10-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(2+)

RNY

RNY
Name:	N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLPYRIDINE-4-CARBOXAMIDE
Formula:	C32 H37 N7 O4
SMILES:	O=C(Nc4ccc(c(Nc3ncnc2c3cc(OCCN1CCCC1)c(OC)c2)c4)C)c5cc(ncc5)N6CCOCC6
InChi:	InChI=1S/C32H37N7O4/c1-22-5-6-24(36-32(40)23-7-8-33-30(17-23)39-12-14-42-15-13-39)18-26(22)37-31-25-19-29(43-16-11-38-9-3-4-10-38)28(41-2)20-27(25)34-21-35-31/h5-8,17-21H,3-4,9-16H2,1-2H3,(H,36,40)(H,34,35,37)
Definition date:	2011-11-29
Last modified:	2014-09-14
Identifier:	N-[3-({7-methoxy-6-[2-(pyrrolidin-1-yl)ethoxy]quinazolin-4-yl}amino)-4-methylphenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide

K97

K97
Name:	3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid
Formula:	C14 H16 N2 O3
SMILES:	O=C(O)c3cc1c(c(cn1)CN2CCOCC2)cc3
InChi:	InChI=1S/C14H16N2O3/c17-14(18)10-1-2-12-11(8-15-13(12)7-10)9-16-3-5-19-6-4-16/h1-2,7-8,15H,3-6,9H2,(H,17,18)
Definition date:	2014-06-30
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid

3BQ

3BQ
Name:	1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea
Formula:	C19 H26 N4 O
SMILES:	O=C(NCCC1(CN)CCCCC1)Nc2ccc3c(c2)ccnc3
InChi:	InChI=1S/C19H26N4O/c20-14-19(7-2-1-3-8-19)9-11-22-18(24)23-17-5-4-16-13-21-10-6-15(16)12-17/h4-6,10,12-13H,1-3,7-9,11,14,20H2,(H2,22,23,24)
Definition date:	2014-07-22
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea

AQZ

AQZ
Name:	N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
Formula:	C32 H37 N7 O4
SMILES:	O=C(Nc4ccc(c(Nc3ncnc2c3cc(OCCN1CCCC1)c(OC)c2)c4)C)c5cc(ncc5)N6CCOCC6
InChi:	InChI=1S/C32H37N7O4/c1-22-5-6-24(36-32(40)23-7-8-33-30(17-23)39-12-14-42-15-13-39)18-26(22)37-31-25-19-29(43-16-11-38-9-3-4-10-38)28(41-2)20-27(25)34-21-35-31/h5-8,17-21H,3-4,9-16H2,1-2H3,(H,36,40)(H,34,35,37)
Definition date:	2005-10-19
Last modified:	2014-09-12
Identifier:	N-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide

Z0O

Z0O
Name:	1-(TERT-BUTYL)-3-(QUINOXALIN-6-YL)UREA
Formula:	C13 H16 N4 O
SMILES:	O=C(NC(C)(C)C)Nc1cc2nccnc2cc1
InChi:	InChI=1S/C13H16N4O/c1-13(2,3)17-12(18)16-9-4-5-10-11(8-9)15-7-6-14-10/h4-8H,1-3H3,(H2,16,17,18)
Definition date:	2012-10-05
Last modified:	2014-09-05
Release date:	2013-06-26
Identifier:	1-tert-butyl-3-quinoxalin-6-ylurea

YJA

YJA
Name:	2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-3-yl]-N-(3-fluorophenyl)ethanamide
Formula:	C26 H30 F N7 O3
SMILES:	O=C(Nc1cccc(F)c1)Cc4nnc(Nc3ncnc2c3ccc(OCCCN(CC)CCO)c2)c4
InChi:	InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)
Definition date:	2013-08-20
Last modified:	2014-09-05
Release date:	2014-02-26
Identifier:	2-{5-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-3-yl}-N-(3-fluorophenyl)acetamide

ZO0

ZO0
Name:	4-(4-METHYL-1,4-DIAZEPAN-1-YL)-2-(TRIFLUOROMETHYL)QUINAZOLINE
Formula:	C15 H17 F3 N4
SMILES:	FC(F)(F)c1nc3c(c(n1)N2CCCN(C)CC2)cccc3
InChi:	InChI=1S/C15H17F3N4/c1-21-7-4-8-22(10-9-21)13-11-5-2-3-6-12(11)19-14(20-13)15(16,17)18/h2-3,5-6H,4,7-10H2,1H3
Definition date:	2009-11-23
Last modified:	2014-09-05
Identifier:	4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)quinazoline

YM3

YM3
Name:	ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
Formula:	C14 H19 N5 O3
SMILES:	O=C(OCC)c1c(c2cnnc2nc1)N3CC(OCC3)CN
InChi:	InChI=1S/C14H19N5O3/c1-2-21-14(20)11-6-16-13-10(7-17-18-13)12(11)19-3-4-22-9(5-15)8-19/h6-7,9H,2-5,8,15H2,1H3,(H,16,17,18)/t9-/m0/s1
Definition date:	2011-06-06
Last modified:	2014-09-05
Identifier:	ethyl 4-[(2S)-2-(aminomethyl)morpholin-4-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

X6C

X6C
Name:	(2S,4R)-1-ethanoyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C17 H19 N3 O4
SMILES:	O=C(N1CC(O)CC1C(=O)NCc3ccc(c2ocnc2)cc3)C
InChi:	InChI=1S/C17H19N3O4/c1-11(21)20-9-14(22)6-15(20)17(23)19-7-12-2-4-13(5-3-12)16-8-18-10-24-16/h2-5,8,10,14-15,22H,6-7,9H2,1H3,(H,19,23)/t14-,15+/m1/s1
Definition date:	2013-04-29
Last modified:	2014-09-05
Release date:	2013-11-27
Identifier:	(4R)-1-acetyl-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide

YM5

YM5
Name:	(3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL
Formula:	C18 H21 N5 O2
SMILES:	n1cnc4c(c1N2CC(OCC2)CN)c(c3cccc(c3)CO)cn4
InChi:	InChI=1S/C18H21N5O2/c19-7-14-9-23(4-5-25-14)18-16-15(8-20-17(16)21-11-22-18)13-3-1-2-12(6-13)10-24/h1-3,6,8,11,14,24H,4-5,7,9-10,19H2,(H,20,21,22)/t14-/m0/s1
Definition date:	2011-06-06
Last modified:	2014-09-05
Identifier:	(3-{4-[(2S)-2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol

YM8

YM8
Name:	(R)-5-(8-CHLOROISOQUINOLIN-3-YLAMINO)-3-(1-(DIMETHYLAMINO)PROPAN-2-YLOXY)PYRAZINE-2-CARBONITRILE
Formula:	C19 H19 Cl N6 O
SMILES:	Clc2cccc1cc(ncc12)Nc3nc(OC(CN(C)C)C)c(nc3)C#N
InChi:	InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1
Definition date:	2011-06-06
Last modified:	2014-09-05
Identifier:	5-[(8-chloroisoquinolin-3-yl)amino]-3-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}pyrazine-2-carbonitrile

UW2

UW2
Name:	1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol
Formula:	C21 H22 N6 O2
SMILES:	n1c(c2c(nc1)n(nc2c5cc4ccc(OC3CC3)nc4cc5)CC(O)(C)C)N
InChi:	InChI=1S/C21H22N6O2/c1-21(2,28)10-27-20-17(19(22)23-11-24-20)18(26-27)13-3-7-15-12(9-13)4-8-16(25-15)29-14-5-6-14/h3-4,7-9,11,14,28H,5-6,10H2,1-2H3,(H2,22,23,24)
Definition date:	2014-07-14
Last modified:	2014-09-05
Release date:	2014-08-27
Identifier:	1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol

ZUN

ZUN
Name:	(4R)-N-[4-(DIHYDROXYAMINO)BENZYL]-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE
Formula:	C18 H22 N4 O6
SMILES:	O=C(N2C(C(=O)NCc1ccc(N(O)O)cc1)CC(O)C2)Cc3onc(c3)C
InChi:	InChI=1S/C18H22N4O6/c1-11-6-15(28-20-11)8-17(24)21-10-14(23)7-16(21)18(25)19-9-12-2-4-13(5-3-12)22(26)27/h2-6,14,16,23,26-27H,7-10H2,1H3,(H,19,25)/t14-,16+/m1/s1
Definition date:	2011-07-19
Last modified:	2014-09-05
Identifier:	(4R)-N-[4-(dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamide

S5B

S5B
Name:	4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid
Formula:	C25 H25 N3 O3
SMILES:	O=C(O)c3cnc1cc(ccc1c3Nc2ccccc2C(C)(C)C)c4c(onc4C)C
InChi:	InChI=1S/C25H25N3O3/c1-14-22(15(2)31-28-14)16-10-11-17-21(12-16)26-13-18(24(29)30)23(17)27-20-9-7-6-8-19(20)25(3,4)5/h6-13H,1-5H3,(H,26,27)(H,29,30)
Definition date:	2012-02-26
Last modified:	2014-09-05
Identifier:	4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid

VWN

VWN
Name:	2-[(1-methyl-1H-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3H)-one
Formula:	C17 H19 N5 O2
SMILES:	O=C1C=C(N=C(N1)Cc3nc2ccccc2n3C)N4CCOCC4
InChi:	InChI=1S/C17H19N5O2/c1-21-13-5-3-2-4-12(13)18-15(21)10-14-19-16(11-17(23)20-14)22-6-8-24-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,20,23)
Definition date:	2012-02-20
Last modified:	2014-09-05
Identifier:	2-[(1-methyl-1H-benzimidazol-2-yl)methyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one

VYR

VYR
Name:	N-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide
Formula:	C28 H33 Cl N4 O7 S2
SMILES:	Clc5sc(c1onc(c1)CC(C(=O)N2CCC(OC)CC2)NS(=O)(=O)c4cccc(N3C(=O)COCC3)c4CC)cc5
InChi:	InChI=1S/C28H33ClN4O7S2/c1-3-20-22(33-13-14-39-17-27(33)34)5-4-6-25(20)42(36,37)31-21(28(35)32-11-9-19(38-2)10-12-32)15-18-16-23(40-30-18)24-7-8-26(29)41-24/h4-8,16,19,21,31H,3,9-15,17H2,1-2H3/t21-/m0/s1
Definition date:	2013-06-19
Last modified:	2014-09-05
Release date:	2013-12-18
Identifier:	N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-2-ethyl-3-(3-oxomorpholin-4-yl)benzenesulfonamide

HKY

HKY
Name:	1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Formula:	C10 H11 N O2
SMILES:	O=C(O)c1ccc2c(c1)CCNC2
InChi:	InChI=1S/C10H11NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-2,5,11H,3-4,6H2,(H,12,13)
Definition date:	2013-06-28
Last modified:	2014-09-05
Release date:	2014-07-16
Identifier:	1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

V65

V65
Name:	4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
Formula:	C21 H27 Cl N6 O2
SMILES:	Clc1ccc(cc1)CN(c2nc(nc(n2)C(=O)N)N3CCOCC3)C4CCCCC4
InChi:	InChI=1S/C21H27ClN6O2/c22-16-8-6-15(7-9-16)14-28(17-4-2-1-3-5-17)21-25-19(18(23)29)24-20(26-21)27-10-12-30-13-11-27/h6-9,17H,1-5,10-14H2,(H2,23,29)
Definition date:	2012-06-13
Last modified:	2014-09-05
Release date:	2013-05-08
Identifier:	4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-(morpholin-4-yl)-1,3,5-triazine-2-carboxamide

YHX

YHX
Name:	4-NITROQUINOLINE 1-OXIDE
Formula:	C9 H6 N2 O3
SMILES:	[O-][N+](=O)c2c1c(cccc1)[n+]([O-])cc2
InChi:	InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H
Definition date:	2013-05-13
Last modified:	2014-09-05
Release date:	2014-05-28
Identifier:	4-nitroquinoline 1-oxide

V6F

V6F
Name:	(4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide
Formula:	C8 H14 N2 O3
SMILES:	O=C(N1C(C(=O)NC)CC(O)C1)C
InChi:	InChI=1S/C8H14N2O3/c1-5(11)10-4-6(12)3-7(10)8(13)9-2/h6-7,12H,3-4H2,1-2H3,(H,9,13)/t6-,7+/m1/s1
Definition date:	2012-06-04
Last modified:	2014-09-05
Release date:	2012-11-09
Identifier:	(4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide

W2E

W2E
Name:	METHYL 4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BENZOATE
Formula:	C16 H12 N2 O3
SMILES:	O=C(OC)c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
InChi:	InChI=1S/C16H12N2O3/c1-21-16(20)11-8-6-10(7-9-11)14-17-13-5-3-2-4-12(13)15(19)18-14/h2-9H,1H3,(H,17,18,19)
Definition date:	2013-06-20
Last modified:	2014-09-05
Release date:	2013-10-30
Identifier:	methyl 4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzoate

G7X

G7X
Name:	ISPINESIB MESILATE
Formula:	C30 H33 Cl N4 O2
SMILES:	O=C(c1ccc(cc1)C)N(CCCN)C(C3=Nc2c(ccc(Cl)c2)C(=O)N3Cc4ccccc4)C(C)C
InChi:	InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1
Definition date:	2011-10-29
Last modified:	2014-09-05
Release date:	2012-09-21
Identifier:	N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide

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