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canSAR1496086
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NAMES
    SMILES
    Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccccc3N)cc12
    InChI
    InChI=1S/C32H29N3O3/c1-20-21(2)35(19-22-11-13-23(14-12-22)26-8-4-5-9-27(26)32(37)38)30-16-15-24(17-28(20)30)31(36)34-18-25-7-3-6-10-29(25)33/h3-17H,18-19,33H2,1-2H3,(H,34,36)(H,37,38)
    MOLECULAR FORMULA
    C32H29N3O3
    CROSS REFERENCES
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    canSAR1496086

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 503.22
    AlogP 6.18
    HBond donors 4
    HBond acceptors 6
    Atoms 67
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1496086.