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SR7
SR7
Name:N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide
Formula:C25 H23 N7 O S
SMILES:O=C(c1nc2c(nc1)cccc2)Nc6c(c3nc4scc(n4c3)CN5CCNCC5)cccc6
InChi:InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)
Definition date:2013-05-14
Last modified:2013-06-21
Release date:2013-06-26
Identifier:N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide
ODH
ODH
Name:N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
Formula:C14 H11 N3 O2
SMILES:O=C(NCc1occc1)c3cc2nccnc2cc3
InChi:InChI=1S/C14H11N3O2/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18)
Definition date:2012-10-08
Last modified:2013-06-21
Release date:2013-06-26
Identifier:N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
AJ4
AJ4
Name:7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one
Formula:C16 H12 F N O
SMILES:Fc3ccccc3c1ccc2c(c1)NC(=O)C=C2C
InChi:InChI=1S/C16H12FNO/c1-10-8-16(19)18-15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,18,19)
Definition date:2013-01-29
Last modified:2013-06-21
Release date:2013-06-26
Identifier:7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one
AJ5
AJ5
Name:3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
Formula:C20 H19 Cl N2 O3
SMILES:O=C(NCCOC)c3ccc(c1ccc2c(c1)NC(=O)C=C2C)c(Cl)c3
InChi:InChI=1S/C20H19ClN2O3/c1-12-9-19(24)23-18-11-13(3-5-15(12)18)16-6-4-14(10-17(16)21)20(25)22-7-8-26-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24)
Definition date:2013-02-12
Last modified:2013-06-21
Release date:2013-06-26
Identifier:3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
AJ6
AJ6
Name:7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one
Formula:C16 H13 Cl N2 O
SMILES:Clc3cc(N)ccc3c1ccc2c(c1)NC(=O)C=C2C
InChi:InChI=1S/C16H13ClN2O/c1-9-6-16(20)19-15-7-10(2-4-12(9)15)13-5-3-11(18)8-14(13)17/h2-8H,18H2,1H3,(H,19,20)
Definition date:2013-02-22
Last modified:2013-06-21
Release date:2013-06-26
Identifier:7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one
AJ7
AJ7
Name:3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Formula:C23 H24 Cl N3 O3
SMILES:O=C2C=C(c1ccc(cc1N2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4)C
InChi:InChI=1S/C23H24ClN3O3/c1-15-12-22(28)26-21-14-16(2-4-18(15)21)19-5-3-17(13-20(19)24)23(29)25-6-7-27-8-10-30-11-9-27/h2-5,12-14H,6-11H2,1H3,(H,25,29)(H,26,28)
Definition date:2013-02-22
Last modified:2013-06-21
Release date:2013-06-26
Identifier:3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
AJ8
AJ8
Name:3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid
Formula:C17 H12 Cl N O3
SMILES:O=C(O)c3ccc(c1ccc2c(c1)NC(=O)C=C2C)c(Cl)c3
InChi:InChI=1S/C17H12ClNO3/c1-9-6-16(20)19-15-8-10(2-4-12(9)15)13-5-3-11(17(21)22)7-14(13)18/h2-8H,1H3,(H,19,20)(H,21,22)
Definition date:2013-02-22
Last modified:2013-06-21
Release date:2013-06-26
Identifier:3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid
FNT
FNT
Name:(2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid
Formula:C13 H11 Cl N2 O4
SMILES:[O-]C(=O)C(NC(=O)c1nc(Cl)c2c(c1O)cccc2)C
InChi:InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/p-1/t6-/m0/s1
Definition date:2013-06-04
Last modified:2013-06-14
Release date:2013-06-19
Identifier:(2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoate
1RD
1RD
Name:N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide
Formula:C23 H36 N6 O4 S2
SMILES:O=C(OCc1scnc1)NCCCCNC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)C(C)C
InChi:InChI=1S/C23H36N6O4S2/c1-15(2)19(28-22(31)29(5)11-17-13-34-21(27-17)16(3)4)20(30)25-8-6-7-9-26-23(32)33-12-18-10-24-14-35-18/h10,13-16,19H,6-9,11-12H2,1-5H3,(H,25,30)(H,26,32)(H,28,31)/t19-/m0/s1
Definition date:2013-05-06
Last modified:2013-06-14
Release date:2013-06-19
Identifier:N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide
MEJ
MEJ
Name:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
Formula:C19 H19 N3 O2
SMILES:O=C(NC(c1ccccc1)C)CCC3=Nc2c(cccc2)C(=O)N3
InChi:InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1
Definition date:2012-09-19
Last modified:2013-06-14
Release date:2013-06-19
Identifier:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
MEW
MEW
Name:2-methylquinazolin-4(3H)-one
Formula:C9 H8 N2 O
SMILES:O=C1c2ccccc2N=C(N1)C
InChi:InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
Definition date:2012-09-19
Last modified:2013-06-14
Release date:2013-06-19
Identifier:2-methylquinazolin-4(3H)-one
5AW
5AW
Name:N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide
Formula:C25 H40 N6 O4 S2
SMILES:O=C(OCc1scnc1)NC(C)CCC(NC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)C(C)C)C
InChi:InChI=1S/C25H40N6O4S2/c1-15(2)21(30-24(33)31(7)11-19-13-36-23(29-19)16(3)4)22(32)27-17(5)8-9-18(6)28-25(34)35-12-20-10-26-14-37-20/h10,13-18,21H,8-9,11-12H2,1-7H3,(H,27,32)(H,28,34)(H,30,33)/t17-,18-,21+/m0/s1
Definition date:2013-05-06
Last modified:2013-06-14
Release date:2013-06-19
Identifier:N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide
5ME
5ME
Name:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide
Formula:C18 H18 N4 O2
SMILES:O=C(NC(c1ncccc1)C)CCC3=Nc2c(cccc2)C(=O)N3
InChi:InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1
Definition date:2012-09-19
Last modified:2013-06-14
Release date:2013-06-19
Identifier:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide
7AW
7AW
Name:N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide
Formula:C33 H48 N6 O4 S2
SMILES:O=C(OCc1scnc1)NC(CCC)CCC(NC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)C(C)C)Cc3ccccc3
InChi:InChI=1S/C33H48N6O4S2/c1-7-11-25(37-33(42)43-19-28-17-34-21-45-28)14-15-26(16-24-12-9-8-10-13-24)35-30(40)29(22(2)3)38-32(41)39(6)18-27-20-44-31(36-27)23(4)5/h8-10,12-13,17,20-23,25-26,29H,7,11,14-16,18-19H2,1-6H3,(H,35,40)(H,37,42)(H,38,41)/t25-,26+,29-/m0/s1
Definition date:2013-05-06
Last modified:2013-06-14
Release date:2013-06-19
Identifier:N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide
8ME
8ME
Name:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide
Formula:C18 H18 N4 O2
SMILES:O=C(NC(c1ncccc1)C)CCC3=Nc2c(cccc2)C(=O)N3
InChi:InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1
Definition date:2012-09-19
Last modified:2013-06-14
Release date:2013-06-19
Identifier:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide
1MB
1MB
Name:1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1H)-one
Formula:C21 H12 F5 N3 O2
SMILES:FC(F)(F)c4cccnc4Oc3ccc1c(C(=O)N=CN1Cc2ccc(F)cc2F)c3
InChi:InChI=1S/C21H12F5N3O2/c22-13-4-3-12(17(23)8-13)10-29-11-28-19(30)15-9-14(5-6-18(15)29)31-20-16(21(24,25)26)2-1-7-27-20/h1-9,11H,10H2
Definition date:2013-03-26
Last modified:2013-06-07
Release date:2013-06-12
Identifier:1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1H)-one
K4F
K4F
Name:4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide
Formula:C27 H23 N3 O3
SMILES:O=C(Nc2c1ncccc1ccc2)c5ccc(N4C(=O)OC(C)(C)C4c3ccccc3)cc5
InChi:InChI=1S/C27H23N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-17,24H,1-2H3,(H,29,31)/t24-/m0/s1
Definition date:2013-04-25
Last modified:2013-05-31
Release date:2013-06-05
Identifier:4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide
0N5
0N5
Name:N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
Formula:C22 H18 N4 O3
SMILES:O=C(c1ccccc1)Nc2ccc(cc2)Nc4ncnc3c4cc(OC)c(O)c3
InChi:InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-15-7-9-16(10-8-15)26-22(28)14-5-3-2-4-6-14/h2-13,27H,1H3,(H,26,28)(H,23,24,25)
Definition date:2012-03-14
Last modified:2013-05-24
Release date:2013-05-29
Identifier:N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
1R5
1R5
Name:7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one
Formula:C15 H10 F N O2
SMILES:Fc3ccc(c1ccc2c(c1)NC(=O)C(O)=C2)cc3
InChi:InChI=1S/C15H10FNO2/c16-12-5-3-9(4-6-12)10-1-2-11-8-14(18)15(19)17-13(11)7-10/h1-8,18H,(H,17,19)
Definition date:2013-05-03
Last modified:2013-05-24
Release date:2013-05-29
Identifier:7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one
1M1
1M1
Name:(6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
Formula:C19 H14 N4
SMILES:n2c1c(cccc1)n4c2c5c(NC4c3ncccc3)cccc5
InChi:InChI=1S/C19H14N4/c1-2-8-14-13(7-1)18-22-15-9-3-4-11-17(15)23(18)19(21-14)16-10-5-6-12-20-16/h1-12,19,21H/t19-/m1/s1
Definition date:2013-03-26
Last modified:2013-05-17
Release date:2013-05-22
Identifier:(6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
MT8
MT8
Name:(1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
Formula:C13 H15 N O2
SMILES:O=C3N2c1c(cccc1C(O)(CC2)C)CC3
InChi:InChI=1S/C13H15NO2/c1-13(16)7-8-14-11(15)6-5-9-3-2-4-10(13)12(9)14/h2-4,16H,5-8H2,1H3/t13-/m1/s1
Definition date:2013-02-05
Last modified:2013-05-17
Release date:2013-05-22
Identifier:(1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
Q3C
Q3C
Name:quinoline-3-carboxylic acid
Formula:C10 H7 N O2
SMILES:O=C(O)c1cc2ccccc2nc1
InChi:InChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13)
Definition date:2013-05-10
Last modified:2013-05-17
Release date:2013-05-22
Identifier:quinoline-3-carboxylic acid
4KJ
4KJ
Name:(5E)-5-[(N-methoxy-N-methylcarbamimidoyl)imino]-L-norvaline
Formula:C8 H16 N4 O3
SMILES:O=C(O)C(N)CC/C=N/C(=[N@H])N(OC)C
InChi:InChI=1S/C8H16N4O3/c1-12(15-2)8(10)11-5-3-4-6(9)7(13)14/h5-6,10H,3-4,9H2,1-2H3,(H,13,14)/b10-8-,11-5+/t6-/m0/s1
Definition date:2012-07-13
Last modified:2013-05-10
Release date:2013-05-15
Identifier:(5E)-5-[(N-methoxy-N-methylcarbamimidoyl)imino]-L-norvaline
6KJ
6KJ
Name:(5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline
Formula:C10 H20 N4 O3
SMILES:O=C(O)C(N)CC/C=N/C(=[N@H])NOC(C)(C)C
InChi:InChI=1S/C10H20N4O3/c1-10(2,3)17-14-9(12)13-6-4-5-7(11)8(15)16/h6-7H,4-5,11H2,1-3H3,(H2,12,14)(H,15,16)/b13-6+/t7-/m0/s1
Definition date:2012-09-04
Last modified:2013-05-10
Release date:2013-05-15
Identifier:(5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline
19V
19V
Name:4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-N-[(1R,2S,3S,5S,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2H)-carboxamide
Formula:C33 H45 N7 O2
SMILES:O=C(N)C71CC6CC(C1)C(NC(=O)N5c2ccccc2N(c4ncc(N3CCN(C(C)(C)C)CC3)cc4)CC5)C(C6)C7
InChi:InChI=1S/C33H45N7O2/c1-32(2,3)38-12-10-37(11-13-38)25-8-9-28(35-21-25)39-14-15-40(27-7-5-4-6-26(27)39)31(42)36-29-23-16-22-17-24(29)20-33(18-22,19-23)30(34)41/h4-9,21-24,29H,10-20H2,1-3H3,(H2,34,41)(H,36,42)/t22-,23-,24+,29-,33-
Definition date:2012-11-12
Last modified:2013-05-03
Release date:2013-05-08
Identifier:4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-N-[(1R,2S,3S,5S,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2H)-carboxamide

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