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9UK
9UK
表記:cobaltcarborane
組成式:C5 H5 B18 Co N2 O2 S
SMILES:B[B]123B4B5[C]67[B+]48[B]19[B]2([B-]689)[C]7%10B3[Co]5%10%11B%12[C]%13(CN[S](N)(=O)=O)[B-]%14%15[B+]%16%17[C]%13%18B%19[B]%20%21%22B%11[B]%12%14%20[B]%15%16%21[B]%17%18%19%22
InChi:InChI=1S/C3H5B9N2O2S.C2HB9.Co/c13-17(15,16)14-1-2-3-6-9(3)8(3)7(2)10(4-2)5-11(6,9,10)12(7,8,9)10
定義日:2017-07-14
最終更新日:2018-07-27
公開日:2018-08-01
8KO
8KO
表記:(2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-N-oxidanyl-pentanamide
組成式:C16 H25 N3 O4
SMILES:CC(C)C[CH](NC(=O)[CH](O)[CH](N)Cc1ccccc1)C(=O)NO
InChi:InChI=1S/C16H25N3O4/c1-10(2)8-13(15(21)19-23)18-16(22)14(20)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,20,23H,8-9,17H2,1-2H3,(H,18,22)(H,19,21)/t12-,13+,14+/m1/s1
定義日:2017-07-26
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:(2~{S})-2-[[(2~{S},3~{R})-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-~{N}-oxidanyl-pentanamide
8KR
8KR
表記:(2R)-4-methyl-2-[(2-methylphenyl)carbamoylamino]-N-oxidanyl-pentanamide
組成式:C14 H21 N3 O3
SMILES:CC(C)C[CH](NC(=O)Nc1ccccc1C)C(=O)NO
InChi:InChI=1S/C14H21N3O3/c1-9(2)8-12(13(18)17-20)16-14(19)15-11-7-5-4-6-10(11)3/h4-7,9,12,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1
定義日:2017-07-26
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:(2~{R})-4-methyl-2-[(2-methylphenyl)carbamoylamino]-~{N}-oxidanyl-pentanamide
8L0
8L0
表記:(2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
組成式:C14 H20 Cl N3 O3
SMILES:CC(C)C[CH](NC(=O)NCc1cccc(Cl)c1)C(=O)NO
InChi:InChI=1S/C14H20ClN3O3/c1-9(2)6-12(13(19)18-21)17-14(20)16-8-10-4-3-5-11(15)7-10/h3-5,7,9,12,21H,6,8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
定義日:2017-07-27
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:(2~{S})-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide
8LO
8LO
表記:(2R)-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-N-oxidanyl-pentanamide
組成式:C17 H27 N3 O3
SMILES:CCc1cccc(CC)c1NC(=O)N[CH](CC(C)C)C(=O)NO
InChi:InChI=1S/C17H27N3O3/c1-5-12-8-7-9-13(6-2)15(12)19-17(22)18-14(10-11(3)4)16(21)20-23/h7-9,11,14,23H,5-6,10H2,1-4H3,(H,20,21)(H2,18,19,22)/t14-/m1/s1
定義日:2017-08-02
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:(2~{R})-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide
8RR
8RR
表記:2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid
組成式:C21 H18 F3 N O3 S Se
SMILES:Cc1cc(SCc2[se]c(nc2C)c3ccc(cc3)C(F)(F)F)ccc1OCC(O)=O
InChi:InChI=1S/C21H18F3NO3SSe/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
定義日:2017-09-01
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid
AQG
AQG
表記:4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide
組成式:C23 H30 N6 O2
SMILES:c12nc(nc(c1ncn2)OCC3CCCCC3)Nc4ccc(cc4)C(N(CC)CC)=O
InChi:InChI=1S/C23H30N6O2/c1-3-29(4-2)22(30)17-10-12-18(13-11-17)26-23-27-20-19(24-15-25-20)21(28-23)31-14-16-8-6-5-7-9-16/h10-13,15-16H,3-9,14H2,1-2H3,(H2,24,25,26,27,28)
定義日:2017-07-23
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide
AYN
AYN
表記:1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
組成式:C16 H11 F3 N2 O
SMILES:NC(=O)c1cc2ccccc2n1c3cccc(c3)C(F)(F)F
InChi:InChI=1S/C16H11F3N2O/c17-16(18,19)11-5-3-6-12(9-11)21-13-7-2-1-4-10(13)8-14(21)15(20)22/h1-9H,(H2,20,22)
定義日:2017-08-31
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
AYZ
AYZ
表記:3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid
組成式:C19 H15 F3 N2 O4
SMILES:NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1c3cccc(CCC(O)=O)c3
InChi:InChI=1S/C19H15F3N2O4/c20-19(21,22)28-14-6-5-12-9-16(18(23)27)24(15(12)10-14)13-3-1-2-11(8-13)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
定義日:2017-08-31
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid
B1B
B1B
表記:(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
組成式:C14 H20 Cl N3 O3
SMILES:CC(C)C[CH](NC(=O)NCc1ccccc1Cl)C(=O)NO
InChi:InChI=1S/C14H20ClN3O3/c1-9(2)7-12(13(19)18-21)17-14(20)16-8-10-5-3-4-6-11(10)15/h3-6,9,12,21H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
定義日:2017-07-26
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:(2~{S})-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide
B4J
B4J
表記:3,4-dimethoxy-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide
組成式:C24 H26 N4 O4 S
SMILES:c1(cc(ccc1OC)C(NCc2cccc(c2)C(Nc4nc3CCN(Cc3s4)C)=O)=O)OC
InChi:InChI=1S/C24H26N4O4S/c1-28-10-9-18-21(14-28)33-24(26-18)27-23(30)16-6-4-5-15(11-16)13-25-22(29)17-7-8-19(31-2)20(12-17)32-3/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,25,29)(H,26,27,30)
定義日:2017-08-01
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:3,4-dimethoxy-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide
B4V
B4V
表記:1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1H-1,2,3-triazole-4-carboxamide
組成式:C21 H22 N10 O3 S
SMILES:c15CN(CCc1nc(NC(c4cccc(CNC(c2c(C)n(nn2)c3nonc3N)=O)c4)=O)s5)C
InChi:InChI=1S/C21H22N10O3S/c1-11-16(26-29-31(11)18-17(22)27-34-28-18)20(33)23-9-12-4-3-5-13(8-12)19(32)25-21-24-14-6-7-30(2)10-15(14)35-21/h3-5,8H,6-7,9-10H2,1-2H3,(H2,22,27)(H,23,33)(H,24,25,32)
定義日:2017-08-01
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1H-1,2,3-triazole-4-carboxamide
B4Y
B4Y
表記:(2R)-N-(3-cyanophenyl)-2-(3-{[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide
組成式:C28 H30 N6 O2 S
SMILES:n1c5c(sc1NC(c4cccc(C2CCCN2C(Nc3cc(C#N)ccc3)=O)c4)=O)CC(CC5)N(C)C
InChi:InChI=1S/C28H30N6O2S/c1-33(2)22-11-12-23-25(16-22)37-27(31-23)32-26(35)20-8-4-7-19(15-20)24-10-5-13-34(24)28(36)30-21-9-3-6-18(14-21)17-29/h3-4,6-9,14-15,22,24H,5,10-13,16H2,1-2H3,(H,30,36)(H,31,32,35)/t22-,24+/m0/s1
定義日:2017-08-01
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:(2R)-N-(3-cyanophenyl)-2-(3-{[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide
B5G
B5G
表記:(2R)-N-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide
組成式:C26 H26 N6 O2 S
SMILES:C1Cc5c(CN1C)sc(NC(c2cccc(c2)C4CCCN4C(Nc3cc(C#N)ccc3)=O)=O)n5
InChi:InChI=1S/C26H26N6O2S/c1-31-12-10-21-23(16-31)35-25(29-21)30-24(33)19-7-3-6-18(14-19)22-9-4-11-32(22)26(34)28-20-8-2-5-17(13-20)15-27/h2-3,5-8,13-14,22H,4,9-12,16H2,1H3,(H,28,34)(H,29,30,33)/t22-/m1/s1
定義日:2017-08-01
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:(2R)-N-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide
C87
C87
表記:Momelotinib
組成式:C23 H22 N6 O2
SMILES:O=C(NCC#N)c1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2
InChi:InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
定義日:2009-05-18
最終更新日:2018-07-27
公開日:2018-08-01
識別子（ID）:~{N}-(cyanomethyl)-4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzamide
GBG
GBG
表記:N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine
組成式:C8 H16 Cl N3 O2
SMILES:C(CC(N)C(O)=O)CCN/C(CCl)=N
InChi:InChI=1S/C8H16ClN3O2/c9-5-7(11)12-4-2-1-3-6(10)8(13)14/h6H,1-5,10H2,(H2,11,12)(H,13,14)/t6-/m0/s1
定義日:2018-05-18
最終更新日:2018-07-20
公開日:2018-07-25
識別子（ID）:N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine
CF6
CF6
表記:N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
組成式:C48 H54 Cl2 N10 O2 S2
SMILES:Clc1ccc(cc1)C=2c8c(n7c(C(N=2)CC(=O)NCCCCCCCCCCNC(=O)CC3N=C(c5c(n4c3nnc4C)sc(c5C)C)c6ccc(cc6)Cl)nnc7C)sc(c8C)C
InChi:InChI=1S/C48H54Cl2N10O2S2/c1-27-29(3)63-47-41(27)43(33-15-19-35(49)20-16-33)53-37(45-57-55-31(5)59(45)47)25-39(61)51-23-13-11-9-7-8-10-12-14-24-52-40(62)26-38-46-58-56-32(6)60(46)48-42(28(2)30(4)64-48)44(54-38)34-17-21-36(50)22-18-34/h15-22,37-38H,7-14,23-26H2,1-6H3,(H,51,61)(H,52,62)/t37-,38-/m0/s1
定義日:2018-05-25
最終更新日:2018-07-20
公開日:2018-07-25
識別子（ID）:N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
GHJ
GHJ
表記:(3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
組成式:C29 H53 N5 O7 S
SMILES:N1C(C2C(O1)OCC2)C(=O)NC(CSC)C(=O)NC(CC(C)C)C(CC(C(=O)NC(C(=O)NCC(C)C)C(C)C)C)O
InChi:InChI=1S/C29H53N5O7S/c1-15(2)11-20(22(35)12-18(7)25(36)33-23(17(5)6)27(38)30-13-16(3)4)31-26(37)21(14-42-8)32-28(39)24-19-9-10-40-29(19)41-34-24/h15-24,29,34-35H,9-14H2,1-8H3,(H,30,38)(H,31,37)(H,32,39)(H,33,36)/t18-,19-,20+,21+,22+,23+,24-,29+/m1/s1
定義日:2018-05-22
最終更新日:2018-07-20
公開日:2018-07-25
識別子（ID）:(3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
E0V
E0V
表記:4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
組成式:C21 H27 N7 O6 S
SMILES:C5(O)C(C(C(N1CCN(CC1)c4c3c(c2ccc(nc2s3)NC)nc(NC)n4)OC5C(=O)O)O)O
InChi:InChI=1S/C21H27N7O6S/c1-22-10-4-3-9-11-16(35-18(9)24-10)17(26-21(23-2)25-11)27-5-7-28(8-6-27)19-14(31)12(29)13(30)15(34-19)20(32)33/h3-4,12-15,19,29-31H,5-8H2,1-2H3,(H,22,24)(H,32,33)(H,23,25,26)/t12-,13-,14+,15-,19+/m0/s1
定義日:2017-11-21
最終更新日:2018-07-20
公開日:2018-07-25
識別子（ID）:4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
FUV
FUV
表記:(5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine
組成式:C23 H28 Cl N3 O7
SMILES:C(C5C(C(C(C(N1CCN(CC1)C=4c2c(ccc(c2)Cl)OC3C(CC=CC3)N=4)O5)O)O)O)(=O)O
InChi:InChI=1S/C23H28ClN3O7/c24-12-5-6-15-13(11-12)21(25-14-3-1-2-4-16(14)33-15)26-7-9-27(10-8-26)22-19(30)17(28)18(29)20(34-22)23(31)32/h1-2,5-6,11,14,16-20,22,28-30H,3-4,7-10H2,(H,31,32)/t14-,16-,17+,18+,19-,20+,22-/m1/s1
定義日:2018-04-19
最終更新日:2018-07-20
公開日:2018-07-25
識別子（ID）:(5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine
DWG
DWG
表記:(6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile
組成式:C26 H24 N4 O
SMILES:C4(=O)C(C#N)CC5(c1ccccc1)c3c(cnc(Nc2ccccc2)n3)CCC5C4C
InChi:InChI=1S/C26H24N4O/c1-17-22-13-12-18-16-28-25(29-21-10-6-3-7-11-21)30-24(18)26(22,14-19(15-27)23(17)31)20-8-4-2-5-9-20/h2-11,16-17,19,22H,12-14H2,1H3,(H,28,29,30)/t17-,19?,22-,26+/m0/s1
定義日:2017-11-10
最終更新日:2018-07-20
公開日:2018-07-25
識別子（ID）:(6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile
DWJ
DWJ
表記:(5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile
組成式:C26 H23 N3 O2
SMILES:C1(C(=O)C(C3C(C1)(c2ccccc2)c5c(CC3)cn(C(c4ccccc4)=O)n5)C)C#N
InChi:InChI=1S/C26H23N3O2/c1-17-22-13-12-19-16-29(25(31)18-8-4-2-5-9-18)28-24(19)26(22,14-20(15-27)23(17)30)21-10-6-3-7-11-21/h2-11,16-17,20,22H,12-14H2,1H3/t17-,20-,22-,26+/m0/s1
定義日:2017-11-10
最終更新日:2018-07-20
公開日:2018-07-25
識別子（ID）:(5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile
DWM
DWM
表記:(7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
組成式:C28 H28 F N5 O3
SMILES:n4c(C(Nc1cccc(c1)C(C)O)=O)c3CN(C(c2cccn2)=O)CC(c3n4Cc5ccc(F)cc5)C
InChi:InChI=1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18-/m1/s1
定義日:2017-11-10
最終更新日:2018-07-20
公開日:2018-07-25
識別子（ID）:(7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
DWP
DWP
表記:(6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile
組成式:C21 H22 N4 O
SMILES:C2Cc1cnc(nc1C3(CC(C(C(C23)C)=O)C#N)C)Nc4ccccc4
InChi:InChI=1S/C21H22N4O/c1-13-17-9-8-14-12-23-20(24-16-6-4-3-5-7-16)25-19(14)21(17,2)10-15(11-22)18(13)26/h3-7,12-13,15,17H,8-10H2,1-2H3,(H,23,24,25)/t13-,15+,17-,21-/m0/s1
定義日:2017-11-10
最終更新日:2018-07-20
公開日:2018-07-25
識別子（ID）:(6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile
DWS
DWS
表記:3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid
組成式:C27 H24 N4 O3
SMILES:c1c(cc(cc1)C45c2c(cnc(n2)Nc3ccccc3)CCC4C(C(C(C5)C#N)=O)C)C(=O)O
InChi:InChI=1S/C27H24N4O3/c1-16-22-11-10-18-15-29-26(30-21-8-3-2-4-9-21)31-24(18)27(22,13-19(14-28)23(16)32)20-7-5-6-17(12-20)25(33)34/h2-9,12,15-16,19,22H,10-11,13H2,1H3,(H,33,34)(H,29,30,31)/t16-,19-,22-,27+/m0/s1
定義日:2017-11-10
最終更新日:2018-07-20
公開日:2018-07-25
識別子（ID）:3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid

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