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CN7
CN7
表記:7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid
組成式:C35 H36 N2 O4
SMILES:c1ccc(c(c1)C)c2c5c(ccc2)c(CCCOc4cccc3ccccc34)c(C(O)=O)n5CCN6CCOCC6
InChi:InChI=1S/C35H36N2O4/c1-25-9-2-4-12-27(25)29-14-7-15-30-31(16-8-22-41-32-17-6-11-26-10-3-5-13-28(26)32)34(35(38)39)37(33(29)30)19-18-36-20-23-40-24-21-36/h2-7,9-15,17H,8,16,18-24H2,1H3,(H,38,39)
定義日:2017-09-28
最終更新日:2017-09-29
公開日:2017-10-04
識別子（ID）:7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid
P59
P59
表記:(2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
組成式:C20 H15 F N2 O
SMILES:Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc4
InChi:InChI=1S/C20H15FN2O/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)14-8-2-1-3-9-14/h1-13,19,22H/t19-/m1/s1
定義日:2017-02-27
最終更新日:2017-09-29
公開日:2017-10-04
識別子（ID）:(2~{R})-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
P69
P69
表記:(2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
組成式:C20 H15 F N2 O
SMILES:Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc4
InChi:InChI=1S/C20H15FN2O/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)14-8-2-1-3-9-14/h1-13,19,22H/t19-/m0/s1
定義日:2017-02-27
最終更新日:2017-09-29
公開日:2017-10-04
識別子（ID）:(2~{S})-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
9BV
9BV
表記:tetrazolo[5,1-b]quinazolin-9-ol
組成式:C8 H5 N5 O
SMILES:c21nc3nnnn3c(c1cccc2)O
InChi:InChI=1S/C8H5N5O/c14-7-5-3-1-2-4-6(5)9-8-10-11-12-13(7)8/h1-4,14H
定義日:2017-04-17
最終更新日:2017-09-22
公開日:2017-09-27
識別子（ID）:tetrazolo[5,1-b]quinazolin-9-ol
B4B
B4B
表記:5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
組成式:C25 H22 N6
SMILES:C1CN(CCN1)c2ccc(cc2)c3cnc4n(c3)ncc4c5cccc6ncccc56
InChi:InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
定義日:2017-09-07
最終更新日:2017-09-15
公開日:2017-09-20
識別子（ID）:5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
4YY
4YY
表記:N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
組成式:C26 H33 F N4 O4 S
SMILES:C1CC1(F)C(=O)NC(C(C)(C)C)C(=O)N2CC(O)CC2C(=O)NCc3ccc(cc3)c4scnc4C
InChi:InChI=1S/C26H33FN4O4S/c1-15-20(36-14-29-15)17-7-5-16(6-8-17)12-28-22(33)19-11-18(32)13-31(19)23(34)21(25(2,3)4)30-24(35)26(27)9-10-26/h5-8,14,18-19,21,32H,9-13H2,1-4H3,(H,28,33)(H,30,35)/t18-,19+,21-/m1/s1
定義日:2015-06-29
最終更新日:2017-09-15
公開日:2017-09-20
識別子（ID）:N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
BW1
BW1
表記:~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine
組成式:C23 H22 N4 O
SMILES:Nc1ccc2c(NCc3occ(CC4CC4)c3)nc(nc2c1)c5ccccc5
InChi:InChI=1S/C23H22N4O/c24-18-8-9-20-21(12-18)26-22(17-4-2-1-3-5-17)27-23(20)25-13-19-11-16(14-28-19)10-15-6-7-15/h1-5,8-9,11-12,14-15H,6-7,10,13,24H2,(H,25,26,27)
定義日:2017-02-14
最終更新日:2017-09-15
公開日:2017-09-20
識別子（ID）:~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine
8OH
8OH
表記:2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine
組成式:C19 H16 N4 S
SMILES:Nc1ccc2c(NCc3sccc3)nc(nc2c1)c4ccccc4
InChi:InChI=1S/C19H16N4S/c20-14-8-9-16-17(11-14)22-18(13-5-2-1-3-6-13)23-19(16)21-12-15-7-4-10-24-15/h1-11H,12,20H2,(H,21,22,23)
定義日:2017-02-14
最終更新日:2017-09-15
公開日:2017-09-20
識別子（ID）:2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine
8OK
8OK
表記:2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine
組成式:C26 H27 N5 O
SMILES:Nc1ccc2c(NCCc3ccccc3)nc(nc2c1)c4ccc(cc4)N5CCOCC5
InChi:InChI=1S/C26H27N5O/c27-21-8-11-23-24(18-21)29-25(30-26(23)28-13-12-19-4-2-1-3-5-19)20-6-9-22(10-7-20)31-14-16-32-17-15-31/h1-11,18H,12-17,27H2,(H,28,29,30)
定義日:2017-02-14
最終更新日:2017-09-15
公開日:2017-09-20
識別子（ID）:2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine
8ON
8ON
表記:1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone
組成式:C28 H30 N6 O
SMILES:CC(=O)N1CCN(CC1)c2ccc(cc2)c3nc(NCCc4ccccc4)c5ccc(N)cc5n3
InChi:InChI=1S/C28H30N6O/c1-20(35)33-15-17-34(18-16-33)24-10-7-22(8-11-24)27-31-26-19-23(29)9-12-25(26)28(32-27)30-14-13-21-5-3-2-4-6-21/h2-12,19H,13-18,29H2,1H3,(H,30,31,32)
定義日:2017-02-14
最終更新日:2017-09-15
公開日:2017-09-20
識別子（ID）:1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone
8OT
8OT
表記:2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine
組成式:C20 H18 N4 S
SMILES:Nc1ccc2c(NCCc3sccc3)nc(nc2c1)c4ccccc4
InChi:InChI=1S/C20H18N4S/c21-15-8-9-17-18(13-15)23-19(14-5-2-1-3-6-14)24-20(17)22-11-10-16-7-4-12-25-16/h1-9,12-13H,10-11,21H2,(H,22,23,24)
定義日:2017-02-14
最終更新日:2017-09-15
公開日:2017-09-20
識別子（ID）:2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine
8OW
8OW
表記:~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine
組成式:C21 H17 F N4
SMILES:Nc1ccc2c(NCc3ccc(F)cc3)nc(nc2c1)c4ccccc4
InChi:InChI=1S/C21H17FN4/c22-16-8-6-14(7-9-16)13-24-21-18-11-10-17(23)12-19(18)25-20(26-21)15-4-2-1-3-5-15/h1-12H,13,23H2,(H,24,25,26)
定義日:2017-02-14
最終更新日:2017-09-15
公開日:2017-09-20
識別子（ID）:~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine
A1Y
A1Y
表記:4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
組成式:C12 H15 N3 O
SMILES:N2(c1c(C#N)c(C)cc(C)n1)CCOCC2
InChi:InChI=1S/C12H15N3O/c1-9-7-10(2)14-12(11(9)8-13)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3
定義日:2017-07-05
最終更新日:2017-09-08
公開日:2017-09-13
識別子（ID）:4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
A2J
A2J
表記:3-(trifluoromethyl)quinoxalin-2(1H)-one
組成式:C9 H5 F3 N2 O
SMILES:c21c(cccc1)NC(=O)C(=N2)C(F)(F)F
InChi:InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)
定義日:2017-07-05
最終更新日:2017-09-08
公開日:2017-09-13
識別子（ID）:3-(trifluoromethyl)quinoxalin-2(1H)-one
8WH
8WH
表記:3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{H}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid
組成式:C23 H21 N5 O4
SMILES:OC(=O)c1cccc(Cn2cc(nn2)c3cccc4C(=O)CC(=Nc34)N5CCOCC5)c1
InChi:InChI=1S/C23H21N5O4/c29-20-12-21(27-7-9-32-10-8-27)24-22-17(5-2-6-18(20)22)19-14-28(26-25-19)13-15-3-1-4-16(11-15)23(30)31/h1-6,11,14H,7-10,12-13H2,(H,30,31)
定義日:2017-03-17
最終更新日:2017-09-08
公開日:2017-09-13
識別子（ID）:3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{H}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid
73Y
73Y
表記:6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide
組成式:C29 H18 Br N5 O
SMILES:Brc1cnc2[nH]cnc2c1C(=O)N[CH]3c4ccccc4c5c3cccc5c6cnc7ccccc7c6
InChi:InChI=1S/C29H18BrN5O/c30-22-14-32-28-27(33-15-34-28)25(22)29(36)35-26-20-8-3-2-7-19(20)24-18(9-5-10-21(24)26)17-12-16-6-1-4-11-23(16)31-13-17/h1-15,26H,(H,35,36)(H,32,33,34)/t26-/m1/s1
定義日:2016-08-22
最終更新日:2017-09-08
公開日:2017-09-13
識別子（ID）:6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide
9O2
9O2
表記:~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide
組成式:C25 H25 N5 O
SMILES:CCC(=O)Nc1cccc(c1)c2nc(NCCc3ccccc3)c4ccc(N)cc4n2
InChi:InChI=1S/C25H25N5O/c1-2-23(31)28-20-10-6-9-18(15-20)24-29-22-16-19(26)11-12-21(22)25(30-24)27-14-13-17-7-4-3-5-8-17/h3-12,15-16H,2,13-14,26H2,1H3,(H,28,31)(H,27,29,30)
定義日:2017-06-15
最終更新日:2017-09-01
公開日:2017-09-06
識別子（ID）:~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide
9O5
9O5
表記:4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one
組成式:C26 H26 N4 O
SMILES:CC(=O)CCc1cccc(c1)c2nc(NCCc3ccccc3)c4ccc(N)cc4n2
InChi:InChI=1S/C26H26N4O/c1-18(31)10-11-20-8-5-9-21(16-20)25-29-24-17-22(27)12-13-23(24)26(30-25)28-15-14-19-6-3-2-4-7-19/h2-9,12-13,16-17H,10-11,14-15,27H2,1H3,(H,28,29,30)
定義日:2017-06-15
最終更新日:2017-09-01
公開日:2017-09-06
識別子（ID）:4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one
FJI
FJI
表記:3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide
組成式:C34 H31 F N4 O5
SMILES:Fc1ccc(Nc2ccc3C(=O)c4cc(ccc4COc3c2)C(=O)NCCN5CCOCC5)cc1NC(=O)c6ccccc6
InChi:InChI=1S/C34H31FN4O5/c35-29-11-9-25(19-30(29)38-34(42)22-4-2-1-3-5-22)37-26-8-10-27-31(20-26)44-21-24-7-6-23(18-28(24)32(27)40)33(41)36-12-13-39-14-16-43-17-15-39/h1-11,18-20,37H,12-17,21H2,(H,36,41)(H,38,42)
定義日:2017-01-11
最終更新日:2017-09-01
公開日:2017-09-06
識別子（ID）:3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide
7N3
7N3
表記:2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide
組成式:C15 H12 N4 O3 S2
SMILES:NC(=O)c1ccsc1NC(=O)CSC2=Nc3ccccc3C(=O)N2
InChi:InChI=1S/C15H12N4O3S2/c16-12(21)9-5-6-23-14(9)18-11(20)7-24-15-17-10-4-2-1-3-8(10)13(22)19-15/h1-6H,7H2,(H2,16,21)(H,18,20)(H,17,19,22)
定義日:2016-12-01
最終更新日:2017-09-01
公開日:2017-09-06
識別子（ID）:2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide
725
725
表記:6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one
組成式:C19 H26 N6 O5
SMILES:CNc1[nH]c2c(CC[CH]3O[CH](OC)[CH](OC)[CH]3OC)c4N=C(N)NC(=O)c4cc2n1
InChi:InChI=1S/C19H26N6O5/c1-21-19-22-10-7-9-12(23-18(20)25-16(9)26)8(13(10)24-19)5-6-11-14(27-2)15(28-3)17(29-4)30-11/h7,11,14-15,17H,5-6H2,1-4H3,(H2,21,22,24)(H3,20,23,25,26)/t11-,14-,15-,17-/m1/s1
定義日:2016-08-15
最終更新日:2017-08-25
公開日:2017-08-30
識別子（ID）:6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{R},5~{R})-3,4,5-trimethoxyoxolan-2-yl]ethyl]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
726
726
表記:6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
組成式:C21 H30 N6 O6
SMILES:CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[CH]4O[CH](OC)[CH](OC)[CH](OC)[CH]4OC)c2n1)N
InChi:InChI=1S/C21H30N6O6/c1-23-21-24-11-8-10-13(25-20(22)27-18(10)28)9(14(11)26-21)6-7-12-15(29-2)16(30-3)17(31-4)19(32-5)33-12/h8,12,15-17,19H,6-7H2,1-5H3,(H2,23,24,26)(H3,22,25,27,28)/t12-,15-,16+,17-,19+/m1/s1
定義日:2016-08-15
最終更新日:2017-08-25
公開日:2017-08-30
識別子（ID）:6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
72C
72C
表記:4-[2-[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
組成式:C20 H26 N6 O5
SMILES:CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[CH]4O[CH](OC)[CH]5OC(C)(C)O[CH]45)c2n1)N
InChi:InChI=1S/C20H26N6O5/c1-20(2)30-14-11(29-17(28-4)15(14)31-20)6-5-8-12-9(16(27)26-18(21)24-12)7-10-13(8)25-19(22-3)23-10/h7,11,14-15,17H,5-6H2,1-4H3,(H2,22,23,25)(H3,21,24,26,27)/t11-,14-,15-,17-/m1/s1
定義日:2016-08-15
最終更新日:2017-08-25
公開日:2017-08-30
識別子（ID）:4-[2-[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
8ZG
8ZG
表記:1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one
組成式:C21 H20 Cl F N4 O
SMILES:c3(c1ccccc1F)c(Cl)cc4c(N2CCN(CC2)C(=O)CC)ncnc4c3
InChi:InChI=1S/C21H20ClFN4O/c1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-19(16)24-13-25-21)14-5-3-4-6-18(14)23/h3-6,11-13H,2,7-10H2,1H3
定義日:2017-03-22
最終更新日:2017-08-18
公開日:2017-08-23
識別子（ID）:1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one
91D
91D
表記:N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide
組成式:C26 H30 Cl F N6 O2
SMILES:c4c1c(nc(NCCC(=O)N(C)C)nc1N2CCN(CC2)C(=O)CC)cc(c3c(F)cccc3)c4Cl
InChi:InChI=1S/C26H30ClFN6O2/c1-4-23(35)33-11-13-34(14-12-33)25-19-15-20(27)18(17-7-5-6-8-21(17)28)16-22(19)30-26(31-25)29-10-9-24(36)32(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,29,30,31)
定義日:2017-03-27
最終更新日:2017-08-18
公開日:2017-08-23
識別子（ID）:N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide

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件を2024-07-10に公開中

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