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canSAR9332
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NAMES
    SMILES
    N#Cc1cccc([C@]23CC[C@@H](N(CCN4CC[C@@H](O)C4)C(=O)Nc4ccccc4F)CC2C3)c1
    InChI
    InChI=1S/C27H31FN4O2/c28-24-6-1-2-7-25(24)30-26(34)32(13-12-31-11-9-23(33)18-31)22-8-10-27(16-21(27)15-22)20-5-3-4-19(14-20)17-29/h1-7,14,21-23,33H,8-13,15-16,18H2,(H,30,34)/t21?,22-,23-,27-/m1/s1
    MOLECULAR FORMULA
    C27H31FN4O2
    CROSS REFERENCES
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    canSAR9332

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.24
    AlogP 4.11
    HBond donors 2
    HBond acceptors 6
    Atoms 65
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR9332.