小分子
选项
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4-(p-甲苯基硫)噻吩并[2,3-c]吡啶-2-甲酰胺CAS号 : 251992-66-2(DMSO)分子式: C15H12N2OS2 分子量: 300.4SMILES: CC1=CC=C(SC2=CN=CC3=C2C=C(S3)C(N)=O)C=C1
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Capivasertib (AZD5363)CAS号 : 1143532-39-1(DMSO)分子式: C21H25ClN6O2 分子量: 428.92SMILES: NC1(CCN(CC1)C2=NC=NC3=C2C=C[NH]3)C(=O)NC(CCO)C4=CC=C(Cl)C=C4
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CCT128930CAS号 : 885499-61-6(DMSO)分子式: C18H20ClN5 分子量: 341.84SMILES: NC1(CCN(CC1)C2=C3C=C[NH]C3=NC=N2)CC4=CC=C(Cl)C=C4
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Ipatasertib (GDC-0068)CAS号 : 1001264-89-6(DMSO)分子式: C24H32ClN5O2 分子量: 458SMILES: CC(C)NCC(C(=O)N1CCN(CC1)C2=C3C(C)CC(O)C3=NC=N2)C4=CC=C(Cl)C=C4
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GSK690693CAS号 : 937174-76-0(DMSO)分子式: C21H27N7O3 分子量: 425.48SMILES: CC[N]1C(=NC2=C1C(=CN=C2C#CC(C)(C)O)OCC3CCCNC3)C4=NON=C4N
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Afuresertib (GSK2110183)CAS号 : 1047644-62-1分子式: C18H17Cl2FN4OS 分子量: 427.32IUPAC Name: N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carboxamideSMILES: CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)NC(CC3=CC(=CC=C3)F)CN)ClInChIKey: AFJRDFWMXUECEW-LBPRGKRZSA-NInChI: InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1
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A 286982CAS号 : 280749-17-9分子式: C24H27N3O4S 分子量: 453.55IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-oneSMILES: CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]InChIKey: HTGGAYLWTDOFDK-PKNBQFBNSA-NInChI: InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+
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BAY1125976CAS号 : 1402608-02-9分子式: C23H21N5O 分子量: 383.45IUPAC Name: 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazine-6-carboxamideSMILES: C1CC(C1)(C2=CC=C(C=C2)C3=C(N4C(=N3)C=CC(=N4)C(=O)N)C5=CC=CC=C5)NInChIKey: JBGYKRAZYDNCNV-UHFFFAOYSA-NInChI: InChI=1S/C23H21N5O/c24-22(29)18-11-12-19-26-20(21(28(19)27-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)23(25)13-4-14-23/h1-3,5-12H,4,13-14,25H2,(H2,24,29)
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立他司特CAS号 : 1025967-78-5分子式: C29H24Cl2N2O7S 分子量: 615.48IUPAC Name: (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acidSMILES: CS(=O)(=O)C1=CC=CC(=C1)CC(C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)ClInChIKey: JFOZKMSJYSPYLN-QHCPKHFHSA-NInChI: InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1
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MI-2CAS号 : 1271738-62-5分子式: C18H25N5S2 分子量: 375.55IUPAC Name: 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidineSMILES: CCCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NCC(S4)(C)CInChIKey: SRQYLNYQAPCPIR-UHFFFAOYSA-NInChI: InChI=1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3