小分子和化合物库

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  1. PHA-793887
      规格或纯度 :
    • ≥95%
    CAS号 : 718630-59-2        Compound CID : 46191454
    分子式: C19H31N5O2        分子量: 361.48
    IUPAC Name: N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide
    SMILES: CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C
    InChIKey: HUXYBQXJVXOMKX-UHFFFAOYSA-N
    InChI: 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)
  2. CHIR 98014(DMSO溶液)
      规格或纯度 :
    • ≥98%
    CAS号 : 556813-39-9        Compound CID : 9957049
    分子式: C20H17Cl2N9O2        分子量: 486.32
    IUPAC Name: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
    SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N
    InChIKey: NDFXSHIIGXVOKT-UHFFFAOYSA-N
    InChI: 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)
  3. CHIR 98014,GSK3抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 556813-39-9        Compound CID : 9957049
    分子式: C20H17Cl2N9O2        分子量: 486.32
    IUPAC Name: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
    SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N
    InChIKey: NDFXSHIIGXVOKT-UHFFFAOYSA-N
    InChI: 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)
  4. DH 97
    CAS号 : 343263-95-6        Compound CID : 3467177
    分子式: C22H26N2O        分子量: 334.46
    IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
    SMILES: CCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
    InChIKey: HDOIPCLEKCEANF-UHFFFAOYSA-N
    InChI: 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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