小分子和化合物库

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  1. AS2717638
    CAS号 : 2148339-28-8        Compound CID : 137333453
    分子式: C25H25N3O5        分子量: 447.48
    IUPAC Name: 6,7-dimethoxy-2-(5-methyl-1,2-benzoxazol-3-yl)-4-(piperidine-1-carbonyl)isoquinolin-1-one
    SMILES: CC1=CC2=C(C=C1)ON=C2N3C=C(C4=CC(=C(C=C4C3=O)OC)OC)C(=O)N5CCCCC5
    InChIKey: QRMYHYZQUGJBBX-UHFFFAOYSA-N
    InChI: InChI=1S/C25H25N3O5/c1-15-7-8-20-18(11-15)23(26-33-20)28-14-19(24(29)27-9-5-4-6-10-27)16-12-21(31-2)22(32-3)13-17(16)25(28)30/h7-8,11-14H,4-6,9-10H2,1-3H3
  2. TAK-615
      规格或纯度 :
    • ≥99%
    CAS号 : 1664335-55-0        Compound CID : 90659729
    分子式: C25H22FNO4        分子量: 419.44
    IUPAC Name: 4-[[cyclopropylmethyl-[4-(2-fluorophenoxy)benzoyl]amino]methyl]benzoic acid
    SMILES: C1CC1CN(CC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4F
    InChIKey: LEZVXIZCJXKBJY-UHFFFAOYSA-N
    InChI: InChI=1S/C25H22FNO4/c26-22-3-1-2-4-23(22)31-21-13-11-19(12-14-21)24(28)27(15-17-5-6-17)16-18-7-9-20(10-8-18)25(29)30/h1-4,7-14,17H,5-6,15-16H2,(H,29,30)
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