小分子和化合物库
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PHA-793887CAS号 : 718630-59-2 Compound CID : 46191454分子式: C19H31N5O2 分子量: 361.48IUPAC Name: N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamideSMILES: CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)CInChIKey: HUXYBQXJVXOMKX-UHFFFAOYSA-NInChI: InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)
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CHIR 98014(DMSO溶液)CAS号 : 556813-39-9 Compound CID : 9957049分子式: C20H17Cl2N9O2 分子量: 486.32IUPAC Name: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamineSMILES: C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])NInChIKey: NDFXSHIIGXVOKT-UHFFFAOYSA-NInChI: InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
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CHIR 98014,GSK3抑制剂CAS号 : 556813-39-9 Compound CID : 9957049分子式: C20H17Cl2N9O2 分子量: 486.32IUPAC Name: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamineSMILES: C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])NInChIKey: NDFXSHIIGXVOKT-UHFFFAOYSA-NInChI: InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
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DH 97CAS号 : 343263-95-6 Compound CID : 3467177分子式: C22H26N2O 分子量: 334.46IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamideSMILES: CCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3InChIKey: HDOIPCLEKCEANF-UHFFFAOYSA-NInChI: InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
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(2'Z,3'E)-6-溴靛玉红-3'-肟CAS号 : 667463-62-9(DMSO)分子式: C16H10BrN3O2 分子量: 356.17SMILES: O\N=C/1\C(NC2=CC=CC=C12)=C3\C(=O)NC4=C3C=CC(=C4)Br
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AT7519CAS号 : 844442-38-2(DMSO)分子式: C16H17Cl2N5O2 分子量: 382.24SMILES: ClC1=CC=CC(=C1C(=O)NC2=C[NH]N=C2C(=O)NC3CCNCC3)Cl
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AT9283CAS号 : 896466-04-9(DMSO)分子式: C19H23N7O2 分子量: 381.43SMILES: O=C(NC1CC1)NC2=C[NH]N=C2C3=NC4=CC(=CC=C4[NH]3)CN5CCOCC5
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CHIR-99021 (CT99021)CAS号 : 252917-06-9(DMSO)分子式: C22H18Cl2N8 分子量: 465.34SMILES: CC1=C[NH]C(=N1)C2=CN=C(NCCNC3=CC=C(C=N3)C#N)N=C2C4=CC=C(Cl)C=C4Cl
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CHIR-98014CAS号 : 252935-94-7(DMSO)分子式: C20H17Cl2N9O2 分子量: 486.31SMILES: NC1=NC(=CC=C1[N+]([O-])=O)NCCNC2=NC=C([N]3C=CN=C3)C(=N2)C4=CC=C(Cl)C=C4Cl
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LY2090314CAS号 : 603288-22-8(DMSO)分子式: C28H25FN6O3 分子量: 512.53SMILES: FC1=CC2=C3[N](CCN(C2)C(=O)N4CCCCC4)C=C(C3=C1)C5=C(C(=O)NC5=O)C6=CN=C7C=CC=C[N]67
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PHA-793887CAS号 : 718630-59-2(DMSO)分子式: C19H31N5O2 分子量: 361.48SMILES: CC(C)CC(=O)NC1=N[NH]C2=C1CN(C(=O)C3CCN(C)CC3)C2(C)C
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SB415286CAS号 : 264218-23-7(DMSO)分子式: C16H10ClN3O5 分子量: 359.72SMILES: OC1=C(Cl)C=C(NC2=C(C(=O)NC2=O)C3=C(C=CC=C3)[N+]([O-])=O)C=C1
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