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T62

T62
Name:	5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol
Formula:	C16 H13 N5 O2
SMILES:	n1c(n3nc(nc3c2c1cccc2)N)Cc4cc(O)cc(O)c4
InChi:	InChI=1S/C16H13N5O2/c17-16-19-15-12-3-1-2-4-13(12)18-14(21(15)20-16)7-9-5-10(22)8-11(23)6-9/h1-6,8,22-23H,7H2,(H2,17,20)
Definition date:	2014-04-03
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	5-[(2-amino[1,2,4]triazolo[1,5-c]quinazolin-5-yl)methyl]benzene-1,3-diol

TV2

TV2
Name:	5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
Formula:	C17 H13 N5 O2
SMILES:	O1c2ccc(cc2OC1)Cc5nc3ccccc3c4nc(nn45)N
InChi:	InChI=1S/C17H13N5O2/c18-17-20-16-11-3-1-2-4-12(11)19-15(22(16)21-17)8-10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9H2,(H2,18,21)
Definition date:	2014-04-03
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine

2YA

2YA
Name:	4-[(1R)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline
Formula:	C19 H15 Cl N4 O2
SMILES:	[O-][n+]4c1c(cccc1)c(OC(c3nnn(c2ccc(Cl)cc2)c3)C)cc4
InChi:	InChI=1S/C19H15ClN4O2/c1-13(17-12-23(22-21-17)15-8-6-14(20)7-9-15)26-19-10-11-24(25)18-5-3-2-4-16(18)19/h2-13H,1H3/t13-/m1/s1
Definition date:	2014-04-11
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	4-{(1R)-1-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethoxy}quinoline 1-oxide

2YM

2YM
Name:	6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C16 H21 N7 O
SMILES:	O=C4N=C(N)Nc2c4cc3nc(NCCN1CCCCC1)nc3c2
InChi:	InChI=1S/C16H21N7O/c17-15-19-11-9-13-12(8-10(11)14(24)22-15)20-16(21-13)18-4-7-23-5-2-1-3-6-23/h8-9H,1-7H2,(H2,18,20,21)(H3,17,19,22,24)
Definition date:	2014-04-17
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

2YO

2YO
Name:	2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C16 H20 N6 O
SMILES:	O=C4N=CNc2c4cc3nc(NCCN1CCCCC1)nc3c2
InChi:	InChI=1S/C16H20N6O/c23-15-11-8-13-14(9-12(11)18-10-19-15)21-16(20-13)17-4-7-22-5-2-1-3-6-22/h8-10H,1-7H2,(H2,17,20,21)(H,18,19,23)
Definition date:	2014-04-24
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

6LV

6LV
Name:	5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
Formula:	C18 H17 N5 O2
SMILES:	n1c(n3nc(nc3c2c1cccc2)N)Cc4cc(OC)cc(OC)c4
InChi:	InChI=1S/C18H17N5O2/c1-24-12-7-11(8-13(10-12)25-2)9-16-20-15-6-4-3-5-14(15)17-21-18(19)22-23(16)17/h3-8,10H,9H2,1-2H3,(H2,19,22)
Definition date:	2014-04-03
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine

G3R

G3R
Name:	2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol
Formula:	C19 H18 N6 O3
SMILES:	O1c2ccc(cc2OC1)Cc5nc3cc(NCCO)ccc3c4nc(nn45)N
InChi:	InChI=1S/C19H18N6O3/c20-19-23-18-13-3-2-12(21-5-6-26)9-14(13)22-17(25(18)24-19)8-11-1-4-15-16(7-11)28-10-27-15/h1-4,7,9,21,26H,5-6,8,10H2,(H2,20,24)
Definition date:	2014-04-03
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol

H05

H05
Name:	5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
Formula:	C12 H13 N5
SMILES:	n1c(n3nc(nc3c2c1cccc2)N)CCC
InChi:	InChI=1S/C12H13N5/c1-2-5-10-14-9-7-4-3-6-8(9)11-15-12(13)16-17(10)11/h3-4,6-7H,2,5H2,1H3,(H2,13,16)
Definition date:	2014-04-02
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine

HAJ

HAJ
Name:	5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine
Formula:	C17 H12 F N5 O2
SMILES:	Fc1cccc2nc(n3nc(nc3c12)N)Cc4ccc5OCOc5c4
InChi:	InChI=1S/C17H12FN5O2/c18-10-2-1-3-11-15(10)16-21-17(19)22-23(16)14(20-11)7-9-4-5-12-13(6-9)25-8-24-12/h1-6H,7-8H2,(H2,19,22)
Definition date:	2014-04-03
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine

IK9

IK9
Name:	2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol
Formula:	C19 H17 F N6 O3
SMILES:	Fc3cc2N=C(N1C(=NC(=[N@H])N1)c2c(NCCO)c3)Cc4ccc5OCOc5c4
InChi:	InChI=1S/C19H17FN6O3/c20-11-7-12(22-3-4-27)17-13(8-11)23-16(26-18(17)24-19(21)25-26)6-10-1-2-14-15(5-10)29-9-28-14/h1-2,5,7-8,22,27H,3-4,6,9H2,(H2,21,25)
Definition date:	2014-04-03
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol

2UT

2UT
Name:	(2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
Formula:	C22 H22 N2 O5
SMILES:	O=C1c4cccc(C(=O)N)c4O/C1=Cc3ccc(OCCN2CCOCC2)cc3
InChi:	InChI=1S/C22H22N2O5/c23-22(26)18-3-1-2-17-20(25)19(29-21(17)18)14-15-4-6-16(7-5-15)28-13-10-24-8-11-27-12-9-24/h1-7,14H,8-13H2,(H2,23,26)/b19-14-
Definition date:	2014-02-12
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide

4BI

4BI
Name:	(2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid
Formula:	C22 H22 Cl N O3
SMILES:	O=C(O)C(OC(C)(C)C)c1c(c2ccccc2nc1C)c3ccc(Cl)cc3
InChi:	InChI=1S/C22H22ClNO3/c1-13-18(20(21(25)26)27-22(2,3)4)19(14-9-11-15(23)12-10-14)16-7-5-6-8-17(16)24-13/h5-12,20H,1-4H3,(H,25,26)/t20-/m0/s1
Definition date:	2014-01-09
Last modified:	2014-06-20
Release date:	2014-06-25
Identifier:	(2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid

S36

S36
Name:	3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone
Formula:	C19 H21 N O3
SMILES:	O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2c(cccc2)CC3
InChi:	InChI=1S/C19H21NO3/c1-12(2)15-9-16(18(22)10-17(15)21)19(23)20-8-7-13-5-3-4-6-14(13)11-20/h3-6,9-10,12,21-22H,7-8,11H2,1-2H3
Definition date:	2013-06-24
Last modified:	2014-06-13
Release date:	2014-06-18
Identifier:	3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone

RL1

RL1
Name:	[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Formula:	C22 H17 Br N4 O3
SMILES:	Brc1ccc2nnc(n2c1)c3cc(c(O)cc3O)C(=O)N5Cc4c(cccc4)CC5
InChi:	InChI=1S/C22H17BrN4O3/c23-15-5-6-20-24-25-21(27(20)12-15)16-9-17(19(29)10-18(16)28)22(30)26-8-7-13-3-1-2-4-14(13)11-26/h1-6,9-10,12,28-29H,7-8,11H2
Definition date:	2013-06-24
Last modified:	2014-06-13
Release date:	2014-06-18
Identifier:	[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone

OFH

OFH
Name:	(4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide
Formula:	C23 H24 Cl F6 N3 O5 S
SMILES:	O=S(=O)(c1ccc(OC(C)C(F)(F)F)cc1Cl)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C(F)(F)F)CC3)C4
InChi:	InChI=1S/C23H24ClF6N3O5S/c1-12(22(25,26)27)38-13-2-3-17(15(24)8-13)39(36,37)14-9-16(18(34)32-20(11-31)4-5-20)33(10-14)19(35)21(6-7-21)23(28,29)30/h2-3,8,11-12,14,16,31H,4-7,9-10H2,1H3,(H,32,34)/b31-11+/t12-,14+,16-/m0/s1
Definition date:	2013-05-28
Last modified:	2014-06-06
Release date:	2014-06-11
Identifier:	(4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide

2SQ

2SQ
Name:	(2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid
Formula:	C26 H28 F N O5
SMILES:	O=C(O)C(OC(C)(C)C)C=4N(C(=O)c1ccccc1C=4c3cc(F)c2OCCCc2c3C)C
InChi:	InChI=1S/C26H28FNO5/c1-14-15-11-8-12-32-22(15)19(27)13-18(14)20-16-9-6-7-10-17(16)24(29)28(5)21(20)23(25(30)31)33-26(2,3)4/h6-7,9-10,13,23H,8,11-12H2,1-5H3,(H,30,31)/t23-/m0/s1
Definition date:	2014-01-24
Last modified:	2014-06-06
Release date:	2014-06-11
Identifier:	(2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid

RUI

RUI
Name:	Cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium
Formula:	C18 H7 N2 O2 Ru
SMILES:	[Ru]\|1\|2\|3\|45(\|[C-]#[O+])(\|C6C\|1=C\|2C\|3=C\|46)\|n7cccc8ccc9c(=O)[nH]cc5c9c78
InChi:	InChI=1S/C12H7N2O.C5H.CO.Ru/c15-12-10-4-3-8-2-1-6-13-11(8)9(10)5-7-14-12
Definition date:	2013-07-23
Last modified:	2014-05-16
Release date:	2014-05-21

1U7

1U7
Name:	(4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol
Formula:	C15 H21 N O
SMILES:	OC2(c1ccccc1)C3C(NCC2)CCCC3
InChi:	InChI=1S/C15H21NO/c17-15(12-6-2-1-3-7-12)10-11-16-14-9-5-4-8-13(14)15/h1-3,6-7,13-14,16-17H,4-5,8-11H2/t13-,14-,15-/m0/s1
Definition date:	2013-06-05
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	(4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol

2RS

2RS
Name:	4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
Formula:	C26 H31 N7 O2
SMILES:	N#Cc1ccc(cc1)Nc2nc(nc(n2)Nc3c(cc(cc3C)C)C)OCCCN4CCOCC4
InChi:	InChI=1S/C26H31N7O2/c1-18-15-19(2)23(20(3)16-18)29-25-30-24(28-22-7-5-21(17-27)6-8-22)31-26(32-25)35-12-4-9-33-10-13-34-14-11-33/h5-8,15-16H,4,9-14H2,1-3H3,(H2,28,29,30,31,32)
Definition date:	2014-01-14
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile

JQF

JQF
Name:	3-METHYL-N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL)BUTANAMIDE
Formula:	C19 H19 N3 O2
SMILES:	O=C(Nc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3)CC(C)C
InChi:	InChI=1S/C19H19N3O2/c1-12(2)11-17(23)20-14-9-7-13(8-10-14)18-21-16-6-4-3-5-15(16)19(24)22-18/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22,24)
Definition date:	2013-06-20
Last modified:	2014-05-12
Release date:	2013-10-30
Identifier:	3-methyl-N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]butanamide

2V1

2V1
Name:	4-(methylsulfonyl)-N-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide
Formula:	C31 H28 N6 O5 S
SMILES:	O=C(c5ccc(Nc4nc(c2cccc(NC(=O)c1ccc(cc1)S(=O)(=O)C)c2)cn3ccnc34)cc5)N6CCOCC6
InChi:	InChI=1S/C31H28N6O5S/c1-43(40,41)26-11-7-21(8-12-26)30(38)34-25-4-2-3-23(19-25)27-20-37-14-13-32-29(37)28(35-27)33-24-9-5-22(6-10-24)31(39)36-15-17-42-18-16-36/h2-14,19-20H,15-18H2,1H3,(H,33,35)(H,34,38)
Definition date:	2014-02-19
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	4-(methylsulfonyl)-N-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide

2V2

2V2
Name:	1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea
Formula:	C27 H29 N5 O3
SMILES:	O=C1C(NC(=O)NC)=CC(=CN1C)c4cccc(N3C=Nc2cc(ccc2C3=O)C(C)(C)C)c4C
InChi:	InChI=1S/C27H29N5O3/c1-16-19(17-12-22(30-26(35)28-5)25(34)31(6)14-17)8-7-9-23(16)32-15-29-21-13-18(27(2,3)4)10-11-20(21)24(32)33/h7-15H,1-6H3,(H2,28,30,35)
Definition date:	2014-02-19
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea

2V3

2V3
Name:	6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one
Formula:	C36 H37 F N6 O3
SMILES:	Fc2cc(cc1C=CN(C(=O)c12)c3cccc(c3CO)C=4C=C(C(=O)N(C=4)C)Nc6ncc(N5CCN(CC)CC5)cc6)C7CC7
InChi:	InChI=1S/C36H37FN6O3/c1-3-41-13-15-42(16-14-41)27-9-10-33(38-20-27)39-31-19-26(21-40(2)35(31)45)28-5-4-6-32(29(28)22-44)43-12-11-24-17-25(23-7-8-23)18-30(37)34(24)36(43)46/h4-6,9-12,17-21,23,44H,3,7-8,13-16,22H2,1-2H3,(H,38,39)
Definition date:	2014-02-19
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one

2ZQ

2ZQ
Name:	8-nitroquinoline
Formula:	C9 H6 N2 O2
SMILES:	[O-][N+](=O)c1cccc2cccnc12
InChi:	InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H
Definition date:	2013-09-20
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	8-nitroquinoline

2ZT

2ZT
Name:	2-[(quinolin-7-yloxy)methyl]quinoline
Formula:	C19 H14 N2 O
SMILES:	n4c3cc(OCc1nc2ccccc2cc1)ccc3ccc4
InChi:	InChI=1S/C19H14N2O/c1-2-6-18-14(4-1)7-9-16(21-18)13-22-17-10-8-15-5-3-11-20-19(15)12-17/h1-12H,13H2
Definition date:	2013-09-20
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	2-[(quinolin-7-yloxy)methyl]quinoline

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