靶点和通路相关化合物筛选库

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  1. 曲地匹坦(Tradipitant)
    CAS号 : 622370-35-8        Compound CID : 9916461
    分子式: C28H16ClF6N5O        分子量: 587.903
    IUPAC Name: [2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]pyridin-3-yl]-(2-chlorophenyl)methanone
    SMILES: C1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)Cl
    InChIKey: CAVRKWRKTNINFF-UHFFFAOYSA-N
    InChI: InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2
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