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96R
96R
Name:2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol
Formula:C12 H10 N4 O
SMILES:c1ccc(c3c1c(n2ccnc2)cc(n3)N)O
InChi:InChI=1S/C12H10N4O/c13-11-6-9(16-5-4-14-7-16)8-2-1-3-10(17)12(8)15-11/h1-7,17H,(H2,13,15)
Definition date:2018-01-25
Last modified:2019-01-18
Release date:2019-01-23
Identifier:2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol
96U
96U
Name:2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol
Formula:C12 H10 N4 O2
SMILES:c1c(O)cc(c2c1c(cc(n2)N)n3cncc3)O
InChi:InChI=1S/C12H10N4O2/c13-11-5-9(16-2-1-14-6-16)8-3-7(17)4-10(18)12(8)15-11/h1-6,17-18H,(H2,13,15)
Definition date:2018-01-25
Last modified:2019-01-18
Release date:2019-01-23
Identifier:2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol
96X
96X
Name:N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
Formula:C15 H14 N4 O2
SMILES:c1ccc(c2c1c(cc(n2)NC(=O)C)Cn3cncc3)O
InChi:InChI=1S/C15H14N4O2/c1-10(20)17-14-7-11(8-19-6-5-16-9-19)12-3-2-4-13(21)15(12)18-14/h2-7,9,21H,8H2,1H3,(H,17,18,20)
Definition date:2018-01-25
Last modified:2019-01-18
Release date:2019-01-23
Identifier:N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
EGJ
EGJ
Name:(2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid
Formula:C27 H26 Cl F N4 O2 S
SMILES:c5ccc(CN1CCC(C(O)=O)(CC1C)Cc2c4ccccc4cc(n2)Nc3sccn3)c(c5Cl)F
InChi:InChI=1S/C27H26ClFN4O2S/c1-17-14-27(25(34)35,9-11-33(17)16-19-6-4-8-21(28)24(19)29)15-22-20-7-3-2-5-18(20)13-23(31-22)32-26-30-10-12-36-26/h2-8,10,12-13,17H,9,11,14-16H2,1H3,(H,34,35)(H,30,31,32)/t17-,27+/m0/s1
Definition date:2018-01-10
Last modified:2019-01-18
Release date:2019-01-23
Identifier:(2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid
EC8
EC8
Name:N-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)-2-hydroxybenzamide
Formula:C16 H9 F4 N3 O4
SMILES:Oc1ccccc1C(=O)NN2C(=O)C(=O)Nc3cc(c(F)cc23)C(F)(F)F
InChi:InChI=1S/C16H9F4N3O4/c17-9-6-11-10(5-8(9)16(18,19)20)21-14(26)15(27)23(11)22-13(25)7-3-1-2-4-12(7)24/h1-6,24H,(H,21,26)(H,22,25)
Definition date:2018-03-14
Last modified:2019-01-18
Release date:2019-01-23
Identifier:~{N}-[7-fluoranyl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]-2-oxidanyl-benzamide
H8W
H8W
Name:3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid
Formula:C23 H27 N3 O2
SMILES:CC(C)CN1CCc2c(ccc3[nH]ncc23)[CH]1c4ccc(CCC(O)=O)cc4
InChi:InChI=1S/C23H27N3O2/c1-15(2)14-26-12-11-18-19(8-9-21-20(18)13-24-25-21)23(26)17-6-3-16(4-7-17)5-10-22(27)28/h3-4,6-9,13,15,23H,5,10-12,14H2,1-2H3,(H,24,25)(H,27,28)/t23-/m1/s1
Definition date:2018-11-27
Last modified:2019-01-18
Release date:2019-01-23
Identifier:3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid
H9Z
H9Z
Name:3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide
Formula:C29 H29 N7 O
SMILES:CN1CCC[CH](C1)NC(=O)c2ccncc2Nc3cc4nccnc4c(c3)c5ccc6ccn(C)c6c5
InChi:InChI=1S/C29H29N7O/c1-35-12-3-4-21(18-35)34-29(37)23-7-9-30-17-26(23)33-22-15-24(28-25(16-22)31-10-11-32-28)20-6-5-19-8-13-36(2)27(19)14-20/h5-11,13-17,21,33H,3-4,12,18H2,1-2H3,(H,34,37)/t21-/m0/s1
Definition date:2018-12-03
Last modified:2019-01-18
Release date:2019-01-23
Identifier:3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide
HAK
HAK
Name:3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide
Formula:C27 H20 N8 O
SMILES:Cn1ccc2ccc(cc12)c3cc(Nc4cnccc4C(=O)Nc5cncnc5)cc6nccnc36
InChi:InChI=1S/C27H20N8O/c1-35-9-5-17-2-3-18(10-25(17)35)22-11-19(12-23-26(22)32-8-7-31-23)33-24-15-28-6-4-21(24)27(36)34-20-13-29-16-30-14-20/h2-16,33H,1H3,(H,34,36)
Definition date:2018-12-03
Last modified:2019-01-18
Release date:2019-01-23
Identifier:3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide
HAT
HAT
Name:3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
Formula:C28 H27 N7 O
SMILES:CN1CC[CH](C1)NC(=O)c2ccncc2Nc3cc4nccnc4c(c3)c5ccc6ccn(C)c6c5
InChi:InChI=1S/C28H27N7O/c1-34-11-7-20(17-34)33-28(36)22-5-8-29-16-25(22)32-21-14-23(27-24(15-21)30-9-10-31-27)19-4-3-18-6-12-35(2)26(18)13-19/h3-6,8-10,12-16,20,32H,7,11,17H2,1-2H3,(H,33,36)/t20-/m0/s1
Definition date:2018-12-03
Last modified:2019-01-18
Release date:2019-01-23
Identifier:3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
HAW
HAW
Name:2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide
Formula:C28 H23 N7 O2 S
SMILES:Cn1ccc2ccc(cc12)c3cc(Nc4ccccc4[S](=O)(=O)NCc5cncnc5)cc6nccnc36
InChi:InChI=1S/C28H23N7O2S/c1-35-11-8-20-6-7-21(12-26(20)35)23-13-22(14-25-28(23)32-10-9-31-25)34-24-4-2-3-5-27(24)38(36,37)33-17-19-15-29-18-30-16-19/h2-16,18,33-34H,17H2,1H3
Definition date:2018-12-03
Last modified:2019-01-18
Release date:2019-01-23
Identifier:2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide
HFK
HFK
Name:2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
Formula:C20 H22 N4 O2
SMILES:O=C1CCCC2=C1C3(CCCCC3)N=C(N2)Nc4oc5ccccc5n4
InChi:InChI=1S/C20H22N4O2/c25-15-9-6-8-14-17(15)20(11-4-1-5-12-20)24-18(21-14)23-19-22-13-7-2-3-10-16(13)26-19/h2-3,7,10H,1,4-6,8-9,11-12H2,(H2,21,22,23,24)
Definition date:2018-12-05
Last modified:2019-01-18
Release date:2019-01-23
Identifier:2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
JVY
JVY
Name:N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
Formula:C19 H21 N3 O3 S
SMILES:c21ncccc1c(cc(c2)c3c(C)onc3C)S(NC4CCCC4)(=O)=O
InChi:InChI=1S/C19H21N3O3S/c1-12-19(13(2)25-21-12)14-10-17-16(8-5-9-20-17)18(11-14)26(23,24)22-15-6-3-4-7-15/h5,8-11,15,22H,3-4,6-7H2,1-2H3
Definition date:2018-10-05
Last modified:2019-01-18
Release date:2019-01-23
Identifier:N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
JW4
JW4
Name:4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
Formula:C25 H22 N4 O
SMILES:c3(cc2nc(C1CC1)nc2c(c3)c5c4cccnc4ccc5C)c6c(C)noc6C
InChi:InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)
Definition date:2018-10-05
Last modified:2019-01-18
Release date:2019-01-23
Identifier:5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methylquinoline
JWD
JWD
Name:5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline
Formula:C19 H17 N3 O2
SMILES:c1c(cc3c(c1c2c(noc2C)C)cccn3)c4c(noc4C)C
InChi:InChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3
Definition date:2018-10-05
Last modified:2019-01-18
Release date:2019-01-23
Identifier:5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline
VGI
VGI
Name:2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione
Formula:C20 H15 Br N2 O3
SMILES:Brc1cccc(c1)N4C(=O)c3cccc2c(ccc(c23)C4=O)NCCO
InChi:InChI=1S/C20H15BrN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2
Definition date:2009-05-05
Last modified:2019-01-15
Identifier:2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1H-benzo[de]isoquinoline-1,3(2H)-dione
EGP
EGP
Name:N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
Formula:C31 H39 N7 O2 S
SMILES:n2(cc(CN1CCN(C)CC1)c3ccc(cc23)NC(NCCc4cnc5ccccc45)=S)CC(=O)N6CCOCC6
InChi:InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41)
Definition date:2018-01-10
Last modified:2019-01-11
Release date:2019-01-16
Identifier:N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
92X
92X
Name:1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
Formula:C24 H22 N2 O5
SMILES:CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4C
InChi:InChI=1S/C24H22N2O5/c1-13-7-4-5-8-16(13)26-23(30)20-14(2)15(11-12-17(20)25(3)24(26)31)22(29)21-18(27)9-6-10-19(21)28/h4-5,7-8,11-12,27H,6,9-10H2,1-3H3
Definition date:2017-12-07
Last modified:2019-01-11
Release date:2019-01-16
Identifier:1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
94L
94L
Name:3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
Formula:C24 H22 N2 O5
SMILES:CN1C(=O)N(C(=O)c2cc(ccc12)C(=O)C3=C(O)CCCC3=O)c4c(C)cccc4C
InChi:InChI=1S/C24H22N2O5/c1-13-6-4-7-14(2)21(13)26-23(30)16-12-15(10-11-17(16)25(3)24(26)31)22(29)20-18(27)8-5-9-19(20)28/h4,6-7,10-12,27H,5,8-9H2,1-3H3
Definition date:2017-12-14
Last modified:2019-01-11
Release date:2019-01-16
Identifier:3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
GBQ
GBQ
Name:5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
Formula:C23 H21 F7 N4 O3
SMILES:C[CH](O[CH]1OCCN(CC2=NC(=O)NN2)[CH]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
Definition date:2018-09-11
Last modified:2019-01-11
Release date:2019-01-16
Identifier:5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
FX2
FX2
Name:7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{H}-quinolin-4-one
Formula:C22 H18 F3 N3 O3
SMILES:COc1ccc2C(=O)[CH](C)C(=Nc2c1)c3cnn(Cc4ccc(OC(F)(F)F)cc4)c3
InChi:InChI=1S/C22H18F3N3O3/c1-13-20(27-19-9-17(30-2)7-8-18(19)21(13)29)15-10-26-28(12-15)11-14-3-5-16(6-4-14)31-22(23,24)25/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1
Definition date:2018-08-09
Last modified:2019-01-11
Release date:2019-01-16
Identifier:7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{H}-quinolin-4-one
JYG
JYG
Name:3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one
Formula:C23 H25 N5 O2
SMILES:CC1NC(c2c1nc(c2)c3c5c(ccc3)C(N(C(NC4(CC4)C)=N5)C6(CC6)C)=O)=O
InChi:InChI=1S/C23H25N5O2/c1-12-17-15(19(29)24-12)11-16(25-17)13-5-4-6-14-18(13)26-21(27-22(2)7-8-22)28(20(14)30)23(3)9-10-23/h4-6,11-12,25H,7-10H2,1-3H3,(H,24,29)(H,26,27)/t12-/m1/s1
Definition date:2018-10-19
Last modified:2019-01-11
Release date:2019-01-16
Identifier:3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one
PQD
PQD
Name:7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
Formula:C17 H16 N6
SMILES:c1c(N)cccc1Cn4c3ccc2nc(N)nc(c2c3cc4)N
InChi:InChI=1S/C17H16N6/c18-11-3-1-2-10(8-11)9-23-7-6-12-14(23)5-4-13-15(12)16(19)22-17(20)21-13/h1-8H,9,18H2,(H4,19,20,21,22)
Definition date:2018-03-16
Last modified:2019-01-04
Release date:2019-01-09
Identifier:7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
95Y
95Y
Name:N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
Formula:C18 H23 Br N4 O5 S2
SMILES:c2(nc(NC(=O)NS(c1cc(c(CCOC)s1)C)(=O)=O)cc(c2)Br)N3CCOCC3
InChi:InChI=1S/C18H23BrN4O5S2/c1-12-9-17(29-14(12)3-6-27-2)30(25,26)22-18(24)21-15-10-13(19)11-16(20-15)23-4-7-28-8-5-23/h9-11H,3-8H2,1-2H3,(H2,20,21,22,24)
Definition date:2017-04-03
Last modified:2019-01-04
Release date:2019-01-09
Identifier:N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
JY4
JY4
Name:7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline
Formula:C12 H12 N4 O2
SMILES:c23c1c(cc(c(c1)OC)OC)nnc2nnc3C
InChi:InChI=1S/C12H12N4O2/c1-6-11-7-4-9(17-2)10(18-3)5-8(7)14-16-12(11)15-13-6/h4-5H,1-3H3,(H,13,15,16)
Definition date:2018-10-17
Last modified:2019-01-04
Release date:2019-01-09
Identifier:7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline
JY7
JY7
Name:8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline
Formula:C17 H14 F N5 O
SMILES:n1nc3n(nc(c3c2cc(cc(c12)OC)F)c4ccncc4C)C
InChi:InChI=1S/C17H14FN5O/c1-9-8-19-5-4-11(9)16-14-12-6-10(18)7-13(24-3)15(12)20-21-17(14)23(2)22-16/h4-8H,1-3H3
Definition date:2018-10-17
Last modified:2019-01-04
Release date:2019-01-09
Identifier:8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline

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