小分子和化合物库

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  1. BAY-299,TAF1和BRD1抑制剂
    CAS号 : 2080306-23-4        Compound CID : 122705990
    分子式: C25H23N3O4        分子量: 429.47
    IUPAC Name: 6-(3-hydroxypropyl)-2-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
    SMILES: CC1=CC2=C(C=C1N3C(=O)C4=C5C(=C(C=C4)CCCO)C=CC=C5C3=O)N(C(=O)N2C)C
    InChIKey: OFWWWKWUCDUISA-UHFFFAOYSA-N
    InChI: InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
  2. NI-57
    CAS号 : 1883548-89-7        Compound CID : 91827373
    分子式: C19H17N3O4S        分子量: 383.42
    IUPAC Name: 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
    SMILES: CC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C=C3)C#N)OC)N(C1=O)C
    InChIKey: UEMQPCYDWCSVCU-UHFFFAOYSA-N
    InChI: InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
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