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4KD

4KD
Name:	4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide
Formula:	C18 H20 N2 O5 S
SMILES:	COc1cc2CCN(Cc2cc1OC)C(=O)c3ccc(cc3)[S](N)(=O)=O
InChi:	InChI=1S/C18H20N2O5S/c1-24-16-9-13-7-8-20(11-14(13)10-17(16)25-2)18(21)12-3-5-15(6-4-12)26(19,22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,22,23)
Definition date:	2015-03-27
Last modified:	2015-08-21
Release date:	2015-08-26
Identifier:	4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide

733

733
Name:	6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide
Formula:	C18 H13 Cl3 F N3 O
SMILES:	Clc1ccc(Cl)c(Cl)c1CNc2c3cc(F)cc(C(=O)N)c3nc(c2)C
InChi:	InChI=1S/C18H13Cl3FN3O/c1-8-4-15(24-7-12-13(19)2-3-14(20)16(12)21)10-5-9(22)6-11(18(23)26)17(10)25-8/h2-6H,7H2,1H3,(H2,23,26)(H,24,25)
Definition date:	2015-01-17
Last modified:	2015-08-21
Release date:	2015-08-26
Identifier:	6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide

DF5

DF5
Name:	6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium
Formula:	C17 H15 N2 O4 S
SMILES:	O=S(=O)(N)c1ccc(cc1)C(=O)[n+]2cccc3c2ccc(c3)OC
InChi:	InChI=1S/C17H15N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h2-11H,1H3,(H2,18,21,22)/q+1
Definition date:	2015-03-27
Last modified:	2015-08-21
Release date:	2015-08-26
Identifier:	6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium

4UC

4UC
Name:	N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
Formula:	C26 H23 N3 O5 S
SMILES:	c4(ccc(NC(c3c1ccccc1nc(c2ccc(OCC)cc2)c3)=O)cc4)S(=O)(=O)NC(=O)C
InChi:	InChI=1S/C26H23N3O5S/c1-3-34-20-12-8-18(9-13-20)25-16-23(22-6-4-5-7-24(22)28-25)26(31)27-19-10-14-21(15-11-19)35(32,33)29-17(2)30/h4-16H,3H2,1-2H3,(H,27,31)(H,29,30)
Definition date:	2015-05-28
Last modified:	2015-08-14
Release date:	2015-08-19
Identifier:	N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

YD3

YD3
Name:	8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1H-quinolin-2-one
Formula:	C27 H34 N4 O4 S
SMILES:	Cc1cncc(c1)c2ccc(N[CH]3CCNC[CH]3OCC4CC[S](=O)(=O)CC4)c5NC(=O)C(=Cc25)C
InChi:	InChI=1S/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/m1/s1
Definition date:	2015-07-11
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1H-quinolin-2-one

G9W

G9W
Name:	(3R)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one
Formula:	C16 H19 N O2
SMILES:	O=C2c1c(c(ccc1)C)C3=C(N2)CC(OC3)C(C)C
InChi:	InChI=1S/C16H19NO2/c1-9(2)14-7-13-12(8-19-14)15-10(3)5-4-6-11(15)16(18)17-13/h4-6,9,14H,7-8H2,1-3H3,(H,17,18)/t14-/m1/s1
Definition date:	2012-08-01
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	(3R)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one

4FS

4FS
Name:	quinolin-3-amine
Formula:	C9 H8 N2
SMILES:	c2c(N)cc1ccccc1n2
InChi:	InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2
Definition date:	2015-03-17
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	quinolin-3-amine

4Q0

4Q0
Name:	2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione
Formula:	C28 H25 N3 O5
SMILES:	c1c5c(ccc1)C(=O)N(c2ccc(cc2)OC)C(CCN4C(=O)c3cccc(c3C4=O)OC(C)C)=N5
InChi:	InChI=1S/C28H25N3O5/c1-17(2)36-23-10-6-8-21-25(23)28(34)30(26(21)32)16-15-24-29-22-9-5-4-7-20(22)27(33)31(24)18-11-13-19(35-3)14-12-18/h4-14,17H,15-16H2,1-3H3
Definition date:	2015-05-06
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione

691

691
Name:	N-(quinolin-3-yl)acetamide
Formula:	C11 H10 N2 O
SMILES:	O=C(C)Nc1cnc2c(c1)cccc2
InChi:	InChI=1S/C11H10N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H3,(H,13,14)
Definition date:	2015-03-23
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	N-(quinolin-3-yl)acetamide

0E0

0E0
Name:	(3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one
Formula:	C16 H19 N O3
SMILES:	O=C2c1c(cccc1)C3=C(N2)CC(OC3)C(C)(C)CO
InChi:	InChI=1S/C16H19NO3/c1-16(2,9-18)14-7-13-12(8-20-14)10-5-3-4-6-11(10)15(19)17-13/h3-6,14,18H,7-9H2,1-2H3,(H,17,19)/t14-/m1/s1
Definition date:	2012-08-01
Last modified:	2015-08-07
Release date:	2015-08-12
Identifier:	(3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one

4E5

4E5
Name:	(3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline
Formula:	C12 H13 N O5
SMILES:	N1C(C(O)=O)C(CC1)c2cc(cc(c2)O)C(O)=O
InChi:	InChI=1S/C12H13NO5/c14-8-4-6(3-7(5-8)11(15)16)9-1-2-13-10(9)12(17)18/h3-5,9-10,13-14H,1-2H2,(H,15,16)(H,17,18)/t9-,10+/m1/s1
Definition date:	2015-03-06
Last modified:	2015-07-31
Release date:	2015-08-05
Identifier:	(3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline

4E7

4E7
Name:	(3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline
Formula:	C15 H19 N O4
SMILES:	N1C(C(C(C1)CCC)c2cc(ccc2)C(=O)O)C(O)=O
InChi:	InChI=1S/C15H19NO4/c1-2-4-11-8-16-13(15(19)20)12(11)9-5-3-6-10(7-9)14(17)18/h3,5-7,11-13,16H,2,4,8H2,1H3,(H,17,18)(H,19,20)/t11-,12+,13+/m1/s1
Definition date:	2015-03-06
Last modified:	2015-07-31
Release date:	2015-08-05
Identifier:	(3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline

W8L

W8L
Name:	3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one
Formula:	C16 H12 Cl N O
SMILES:	Clc3ccc(C2=Cc1c(cccc1C)C(=O)N2)cc3
InChi:	InChI=1S/C16H12ClNO/c1-10-3-2-4-13-14(10)9-15(18-16(13)19)11-5-7-12(17)8-6-11/h2-9H,1H3,(H,18,19)
Definition date:	2014-08-08
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one

WLH

WLH
Name:	2-(4-METHYLPIPERAZIN-1-YL)-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-4-ONE
Formula:	C13 H20 N4 O
SMILES:	CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2
InChi:	InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-9H2,1H3,(H,14,15,18)
Definition date:	2015-03-06
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

SGW

SGW
Name:	3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one
Formula:	C16 H12 Cl N O2
SMILES:	Clc3ccc(C2=Cc1c(cccc1OC)C(=O)N2)cc3
InChi:	InChI=1S/C16H12ClNO2/c1-20-15-4-2-3-12-13(15)9-14(18-16(12)19)10-5-7-11(17)8-6-10/h2-9H,1H3,(H,18,19)
Definition date:	2014-08-08
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one

CDJ

CDJ
Name:	5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one
Formula:	C15 H11 Cl N2 O
SMILES:	Clc3ccc(C2=Cc1c(cccc1N)C(=O)N2)cc3
InChi:	InChI=1S/C15H11ClN2O/c16-10-6-4-9(5-7-10)14-8-12-11(15(19)18-14)2-1-3-13(12)17/h1-8H,17H2,(H,18,19)
Definition date:	2014-08-07
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one

U1T

U1T
Name:	5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one
Formula:	C21 H22 N2 O
SMILES:	O=C1c4cccc(c4C=C(N1)c2ccc(cc2)CN3CCCC3)C
InChi:	InChI=1S/C21H22N2O/c1-15-5-4-6-18-19(15)13-20(22-21(18)24)17-9-7-16(8-10-17)14-23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,24)
Definition date:	2014-08-08
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one

36D

36D
Name:	N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-L-norvaline
Formula:	C13 H20 N2 O4 S
SMILES:	O=C(O)C(NC(=O)C(O)C(N)Cc1sccc1)CCC
InChi:	InChI=1S/C13H20N2O4S/c1-2-4-10(13(18)19)15-12(17)11(16)9(14)7-8-5-3-6-20-8/h3,5-6,9-11,16H,2,4,7,14H2,1H3,(H,15,17)(H,18,19)/t9-,10-,11+/m0/s1
Definition date:	2014-06-24
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-L-norvaline

G1O

G1O
Name:	5-amino-4-methylisoquinolin-1(2H)-one
Formula:	C10 H10 N2 O
SMILES:	O=C1c2cccc(c2C(=CN1)C)N
InChi:	InChI=1S/C10H10N2O/c1-6-5-12-10(13)7-3-2-4-8(11)9(6)7/h2-5H,11H2,1H3,(H,12,13)
Definition date:	2014-08-08
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	5-amino-4-methylisoquinolin-1(2H)-one

4XO

4XO
Name:	6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile
Formula:	C21 H16 N8
SMILES:	c1c(cn4c1cc(c(Nc2ncnc(n2)Nc3ccc(C#N)cc3)c4C)C)C#N
InChi:	InChI=1S/C21H16N8/c1-13-7-18-8-16(10-23)11-29(18)14(2)19(13)27-21-25-12-24-20(28-21)26-17-5-3-15(9-22)4-6-17/h3-8,11-12H,1-2H3,(H2,24,25,26,27,28)
Definition date:	2015-06-17
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile

H2W

H2W
Name:	3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one
Formula:	C15 H9 Cl F N O
SMILES:	Clc3ccc(C2=Cc1c(cccc1F)C(=O)N2)cc3
InChi:	InChI=1S/C15H9ClFNO/c16-10-6-4-9(5-7-10)14-8-12-11(15(19)18-14)2-1-3-13(12)17/h1-8H,(H,18,19)
Definition date:	2014-08-08
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one

5WW

5WW
Name:	5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one
Formula:	C16 H14 N2 O2
SMILES:	O=C2c3cccc(c3C=C(c1ccc(OC)cc1)N2)N
InChi:	InChI=1S/C16H14N2O2/c1-20-11-7-5-10(6-8-11)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19)
Definition date:	2014-08-07
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one

4TH

4TH
Name:	(S)-7-((R)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one
Formula:	C33 H34 Cl N3 O3
SMILES:	c1(Cl)ccc(cc1)C4c5c(CC(N4c3ccc(N(Cc2ccncc2)C)cc3)=O)cc(c(c5)OC(C)CC)OC
InChi:	InChI=1S/C33H34ClN3O3/c1-5-22(2)40-31-20-29-25(18-30(31)39-4)19-32(38)37(33(29)24-6-8-26(34)9-7-24)28-12-10-27(11-13-28)36(3)21-23-14-16-35-17-15-23/h6-18,20,22,33H,5,19,21H2,1-4H3/t22-,33+/m1/s1
Definition date:	2015-05-22
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	(1S)-7-[(2R)-butan-2-yloxy]-1-(4-chlorophenyl)-6-methoxy-2-{4-[methyl(pyridin-4-ylmethyl)amino]phenyl}-1,4-dihydroisoquinolin-3(2H)-one

5NN

5NN
Name:	5-AMINO-3-PHENYL-1,2-DIHYDROISOQUINOLIN-1-ONE
Formula:	C15 H12 N2 O
SMILES:	O=C2c3cccc(c3C=C(c1ccccc1)N2)N
InChi:	InChI=1S/C15H12N2O/c16-13-8-4-7-11-12(13)9-14(17-15(11)18)10-5-2-1-3-6-10/h1-9H,16H2,(H,17,18)
Definition date:	2014-08-08
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	5-amino-3-phenylisoquinolin-1(2H)-one

3BJ

3BJ
Name:	N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
Formula:	C21 H20 Cl2 N8 O
SMILES:	Clc1ccc(c(Cl)c1)Nc2nc(nc(n2)NCc4nc3ccccc3n4)N5CCOCC5
InChi:	InChI=1S/C21H20Cl2N8O/c22-13-5-6-15(14(23)11-13)27-20-28-19(29-21(30-20)31-7-9-32-10-8-31)24-12-18-25-16-3-1-2-4-17(16)26-18/h1-6,11H,7-10,12H2,(H,25,26)(H2,24,27,28,29,30)
Definition date:	2014-07-17
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine

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