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7XH
7XH
表記:~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide
組成式:C29 H37 F N6 O4 S
SMILES:COc1ncc(cc1[S](=O)(=O)Nc2ccnc(c2)c3ccc(CN4CCN(CC4)C(C)C)cc3F)N5CCOCC5
InChi:InChI=1S/C29H37FN6O4S/c1-21(2)35-10-8-34(9-11-35)20-22-4-5-25(26(30)16-22)27-17-23(6-7-31-27)33-41(37,38)28-18-24(19-32-29(28)39-3)36-12-14-40-15-13-36/h4-7,16-19,21H,8-15,20H2,1-3H3,(H,31,33)
定義日:2021-09-09
最終更新日:2021-09-24
公開日:2021-09-29
識別子（ID）:~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide
55Z
55Z
表記:5-azanyl-N-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
組成式:C24 H30 N6 O3 S2
SMILES:CSc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(n1)c3cccc(NC(=O)CN4CCOCC4)c3
InChi:InChI=1S/C24H30N6O3S2/c1-24(2,3)29-21(32)20-18(25)17-19(27-23(34-4)28-22(17)35-20)14-6-5-7-15(12-14)26-16(31)13-30-8-10-33-11-9-30/h5-7,12H,8-11,13,25H2,1-4H3,(H,26,31)(H,29,32)
定義日:2021-08-19
最終更新日:2021-09-24
公開日:2021-09-29
識別子（ID）:5-azanyl-~{N}-~{tert}-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
8IE
8IE
表記:(4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
組成式:C18 H17 N5 S
SMILES:CC1CN(Cc2ccccc21)c1nc2ccsc2c2nnc(C)n21
InChi:InChI=1S/C18H17N5S/c1-11-9-22(10-13-5-3-4-6-14(11)13)18-19-15-7-8-24-16(15)17-21-20-12(2)23(17)18/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
定義日:2021-09-20
最終更新日:2021-09-24
公開日:2021-09-29
識別子（ID）:(4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
4IO
4IO
表記:5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate
組成式:C20 H12 Cl N3 O6 S
SMILES:[O-][N+](=O)c1cc(ccc1)S(=O)(=O)n1ccc2cc(ccc21)C(=O)Oc1cc(Cl)cnc1
InChi:InChI=1S/C20H12ClN3O6S/c21-15-9-17(12-22-11-15)30-20(25)14-4-5-19-13(8-14)6-7-23(19)31(28,29)18-3-1-2-16(10-18)24(26)27/h1-12H
定義日:2021-07-08
最終更新日:2021-09-24
公開日:2021-09-29
識別子（ID）:5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate
4QI
4QI
表記:(4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
組成式:C18 H15 Cl N6 O2
SMILES:Clc1cn[NH]c1C1N=C(NC=2CCCC(=O)C1=2)Nc1nc2ccccc2o1
InChi:InChI=1S/C18H15ClN6O2/c19-9-8-20-25-15(9)16-14-11(5-3-6-12(14)26)21-17(23-16)24-18-22-10-4-1-2-7-13(10)27-18/h1-2,4,7-8,16H,3,5-6H2,(H,20,25)(H2,21,22,23,24)/t16-/m1/s1
定義日:2021-07-13
最終更新日:2021-09-24
公開日:2021-09-29
識別子（ID）:(4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
YHD
YHD
表記:N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide
組成式:C20 H25 B N2 O3
SMILES:O=C(NC(Cc1ccc(cc1)c1ccccc1)B(O)O)C1CCCN1C
InChi:InChI=1S/C20H25BN2O3/c1-23-13-5-8-18(23)20(24)22-19(21(25)26)14-15-9-11-17(12-10-15)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,25-26H,5,8,13-14H2,1H3,(H,22,24)/t18-,19-/m0/s1
定義日:2021-03-08
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide
YJ4
YJ4
表記:4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
組成式:C18 H18 N6 O2
SMILES:CCNc1nc2cccnc2c(n1)N1CC(=O)Nc2cc(ccc21)OC
InChi:InChI=1S/C18H18N6O2/c1-3-19-18-22-12-5-4-8-20-16(12)17(23-18)24-10-15(25)21-13-9-11(26-2)6-7-14(13)24/h4-9H,3,10H2,1-2H3,(H,21,25)(H,19,22,23)
定義日:2021-03-10
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
YJ7
YJ7
表記:4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
組成式:C16 H15 N5 O3
SMILES:COc1cc2NC(=O)CN(c3nc(C)nc4onc(C)c34)c2cc1
InChi:InChI=1S/C16H15N5O3/c1-8-14-15(17-9(2)18-16(14)24-20-8)21-7-13(22)19-11-6-10(23-3)4-5-12(11)21/h4-6H,7H2,1-3H3,(H,19,22)
定義日:2021-03-10
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
VQD
VQD
表記:(3R)-3-{4-[(3R)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1H-1,2,3-triazol-1-yl}-N-hydroxy-4-(naphthalen-2-yl)butanamide
組成式:C27 H25 F2 N5 O4
SMILES:c1c5c(ccc1)ccc(CC(CC(=O)NO)n2cc(nn2)C3COCCN3C(=O)c4ccc(c(c4)F)F)c5
InChi:InChI=1S/C27H25F2N5O4/c28-22-8-7-20(13-23(22)29)27(36)33-9-10-38-16-25(33)24-15-34(32-30-24)21(14-26(35)31-37)12-17-5-6-18-3-1-2-4-19(18)11-17/h1-8,11,13,15,21,25,37H,9-10,12,14,16H2,(H,31,35)/t21-,25+/m1/s1
定義日:2020-09-08
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:(3R)-3-{4-[(3R)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1H-1,2,3-triazol-1-yl}-N-hydroxy-4-(naphthalen-2-yl)butanamide
VQJ
VQJ
表記:3,4-difluoro-N-({1-[(2R)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide
組成式:C23 H20 F2 N6 O3
SMILES:c4c3ccc(CC(CC(=O)NO)n2cc(CNC(=O)c1ccc(c(c1)F)F)nn2)cc3ncc4
InChi:InChI=1S/C23H20F2N6O3/c24-19-6-5-16(10-20(19)25)23(33)27-12-17-13-31(30-28-17)18(11-22(32)29-34)8-14-3-4-15-2-1-7-26-21(15)9-14/h1-7,9-10,13,18,34H,8,11-12H2,(H,27,33)(H,29,32)/t18-/m1/s1
定義日:2020-09-08
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:3,4-difluoro-N-({1-[(2R)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide
VQS
VQS
表記:N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea
組成式:C24 H31 N5 O4 S2
SMILES:C1C(C1)S(C5(c3cc(nc(c2ccc(cc2)NC(=S)NCCO)n3)N4C(C)COCC4)CC5)(=O)=O
InChi:InChI=1S/C24H31N5O4S2/c1-16-15-33-13-11-29(16)21-14-20(24(8-9-24)35(31,32)19-6-7-19)27-22(28-21)17-2-4-18(5-3-17)26-23(34)25-10-12-30/h2-5,14,16,19,30H,6-13,15H2,1H3,(H2,25,26,34)/t16-/m0/s1
定義日:2020-09-08
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea
UJH
UJH
表記:1-methoxy-4-oxoquinoline
組成式:C10 H9 N O2
SMILES:CON1C=CC(=O)c2ccccc12
InChi:InChI=1S/C10H9NO2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
別名:1-methoxyquinolin-4-one
定義日:2021-02-23
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:1-methoxyquinolin-4-one
Y5J
Y5J
表記:4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
組成式:C15 H11 Cl N4 O3
SMILES:c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)OC)occ4
InChi:InChI=1S/C15H11ClN4O3/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21)
定義日:2020-05-20
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Y5L
Y5L
表記:4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
組成式:C16 H15 Cl N4 O2
SMILES:c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)OC)CCC4
InChi:InChI=1S/C16H15ClN4O2/c1-23-9-5-6-13-12(7-9)18-14(22)8-21(13)15-10-3-2-4-11(10)19-16(17)20-15/h5-7H,2-4,8H2,1H3,(H,18,22)
定義日:2020-05-20
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Y5M
Y5M
表記:7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one
組成式:C17 H18 N4 O2
SMILES:Cc1nc4c(c(n1)N3c2ccc(cc2NC(C3)=O)OC)CCC4
InChi:InChI=1S/C17H18N4O2/c1-10-18-13-5-3-4-12(13)17(19-10)21-9-16(22)20-14-8-11(23-2)6-7-15(14)21/h6-8H,3-5,9H2,1-2H3,(H,20,22)
定義日:2020-05-20
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one
8A5
8A5
表記:4-[(3,4-dimethoxyphenyl)methyl]morpholine
組成式:C13 H19 N O3
SMILES:COc1ccc(cc1OC)CN1CCOCC1
InChi:InChI=1S/C13H19NO3/c1-15-12-4-3-11(9-13(12)16-2)10-14-5-7-17-8-6-14/h3-4,9H,5-8,10H2,1-2H3
定義日:2021-09-14
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:4-[(3,4-dimethoxyphenyl)methyl]morpholine
8B2
8B2
表記:(1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine
組成式:C12 H18 N2 O
SMILES:CC(N)c1ccc(cc1)N1CCOCC1
InChi:InChI=1S/C12H18N2O/c1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m1/s1
定義日:2021-09-14
最終更新日:2021-09-17
公開日:2021-09-22
識別子（ID）:(1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine
TW8
TW8
表記:4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde
組成式:C15 H14 N2 O3 S
SMILES:O=Cc1ccc(cc1)[S](=O)(=O)N2CCNc3ccccc23
InChi:InChI=1S/C15H14N2O3S/c18-11-12-5-7-13(8-6-12)21(19,20)17-10-9-16-14-3-1-2-4-15(14)17/h1-8,11,16H,9-10H2
定義日:2021-01-14
最終更新日:2021-09-10
公開日:2021-09-15
識別子（ID）:4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde
VKQ
VKQ
表記:5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide
組成式:C23 H27 N5 O2
SMILES:CCC1=Cc2ccc(CN3CCN(CC3)c4ccc(nc4)C(=O)NC)cc2NC1=O
InChi:InChI=1S/C23H27N5O2/c1-3-17-13-18-5-4-16(12-21(18)26-22(17)29)15-27-8-10-28(11-9-27)19-6-7-20(25-14-19)23(30)24-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,24,30)(H,26,29)
定義日:2021-05-26
最終更新日:2021-09-10
公開日:2021-09-15
識別子（ID）:5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide
VKT
VKT
表記:7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one
組成式:C21 H27 N5 O
SMILES:CCC1=Cc2ccc(CN3CCN(CC3)c4ncc(C)n4C)cc2NC1=O
InChi:InChI=1S/C21H27N5O/c1-4-17-12-18-6-5-16(11-19(18)23-20(17)27)14-25-7-9-26(10-8-25)21-22-13-15(2)24(21)3/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,23,27)
定義日:2021-05-26
最終更新日:2021-09-10
公開日:2021-09-15
識別子（ID）:7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one
VKW
VKW
表記:8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one
組成式:C20 H25 Cl N6 O
SMILES:Cn1c(C)cnc1N2CCN(CCCC3=Nc4c(Cl)cccc4C(=O)N3)CC2
InChi:InChI=1S/C20H25ClN6O/c1-14-13-22-20(25(14)2)27-11-9-26(10-12-27)8-4-7-17-23-18-15(19(28)24-17)5-3-6-16(18)21/h3,5-6,13H,4,7-12H2,1-2H3,(H,23,24,28)
定義日:2021-05-26
最終更新日:2021-09-10
公開日:2021-09-15
識別子（ID）:8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one
TZK
TZK
表記:4-(4-methylphenyl)sulfonylmorpholine
組成式:C11 H15 N O3 S
SMILES:Cc1ccc(cc1)[S](=O)(=O)N2CCOCC2
InChi:InChI=1S/C11H15NO3S/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3
定義日:2021-01-14
最終更新日:2021-09-10
公開日:2021-09-15
識別子（ID）:4-(4-methylphenyl)sulfonylmorpholine
Z26
Z26
表記:2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide
組成式:C18 H15 Cl N2 O2
SMILES:Clc1cc(CC(=O)Nc2cncc3ccccc32)c(OC)cc1
InChi:InChI=1S/C18H15ClN2O2/c1-23-17-7-6-14(19)8-13(17)9-18(22)21-16-11-20-10-12-4-2-3-5-15(12)16/h2-8,10-11H,9H2,1H3,(H,21,22)
定義日:2021-09-08
最終更新日:2021-09-10
公開日:2021-09-15
識別子（ID）:2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide
860
860
表記:2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide
組成式:C17 H13 Cl N2 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C17H13ClN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h1-8,10-11H,9H2,(H,20,21)
定義日:2021-09-08
最終更新日:2021-09-10
公開日:2021-09-15
識別子（ID）:2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide
87H
87H
表記:(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide
組成式:C18 H15 F N2 O
SMILES:Fc1cccc(c1)C(C)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C18H15FN2O/c1-12(13-6-4-7-15(19)9-13)18(22)21-17-11-20-10-14-5-2-3-8-16(14)17/h2-12H,1H3,(H,21,22)/t12-/m1/s1
定義日:2021-09-09
最終更新日:2021-09-10
公開日:2021-09-15
識別子（ID）:(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide

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