小分子和化合物库

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  1. Veliparib,PARP抑制剂
    CAS号 : 912444-00-9        Compound CID : 11960529
    分子式: C13H16N4O        分子量: 244.3
    IUPAC Name: 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
    SMILES: CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N
    InChIKey: JNAHVYVRKWKWKQ-CYBMUJFWSA-N
    InChI: InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1
  2. 帕米帕里布(BGB-290)
    CAS号 : 1446261-44-4        Compound CID : 135565554
    分子式: C16H15FN4O        分子量: 298.31
    IUPAC Name: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one
    SMILES: CC12CCCN1CC3=NNC(=O)C4=C5C3=C2NC5=CC(=C4)F
    InChIKey: DENYZIUJOTUUNY-MRXNPFEDSA-N
    InChI: InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1
  3. Tankyrase-IN-2
      规格或纯度 :
    • ≥99%
    CAS号 : 1588870-36-3        Compound CID : 136236981
    分子式: C17H14F2N2O2        分子量: 316.30
    IUPAC Name: 6,8-difluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-3H-quinazolin-4-one
    SMILES: CC(C)(C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3F)F)C(=O)N2)O
    InChIKey: FHBYLOWAINBPRJ-UHFFFAOYSA-N
    InChI: InChI=1S/C17H14F2N2O2/c1-17(2,23)10-5-3-9(4-6-10)15-20-14-12(16(22)21-15)7-11(18)8-13(14)19/h3-8,23H,1-2H3,(H,20,21,22)
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