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canSAR163401
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NAMES
    SMILES
    O=C(NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2NCC3)CC1)[C@H]1Cc2ccccc2CN1
    InChI
    InChI=1S/C31H34ClN5O2/c32-25-10-8-21(9-11-25)18-27(35-30(38)26-19-23-4-1-2-5-24(23)20-34-26)31(39)37-16-14-36(15-17-37)28-7-3-6-22-12-13-33-29(22)28/h1-11,26-27,33-34H,12-20H2,(H,35,38)/t26-,27?/m1/s1
    MOLECULAR FORMULA
    C31H34ClN5O2
    CROSS REFERENCES
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    canSAR163401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.24
    AlogP 3.40
    HBond donors 3
    HBond acceptors 7
    Atoms 73
    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 canSAR163401.