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canSAR563632
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NAMES
    SMILES
    Cl.O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1C2CCC1CC(CN1CCC(c3c[nH]c4ccccc34)CC1)C2
    InChI
    InChI=1S/C31H35Cl2N3O.ClH/c32-27-9-5-20(17-28(27)33)6-10-30(37)35-31-23-7-8-24(31)16-21(15-23)19-36-13-11-22(12-14-36)26-18-34-29-4-2-1-3-25(26)29;/h1-6,9-10,17-18,21-24,31,34H,7-8,11-16,19H2,(H,35,37);1H
    MOLECULAR FORMULA
    C31H36Cl3N3O
    CROSS REFERENCES
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    canSAR563632

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 571.19
    AlogP 7.71
    HBond donors 2
    HBond acceptors 4
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR563632.