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canSAR142857
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NAMES
    SMILES
    Cc1ccc(C(c2ccccc2)N2CCN(CCCCNC(=O)/C=C/c3cccnc3)CC2)cc1C
    InChI
    InChI=1S/C31H38N4O/c1-25-12-14-29(23-26(25)2)31(28-10-4-3-5-11-28)35-21-19-34(20-22-35)18-7-6-17-33-30(36)15-13-27-9-8-16-32-24-27/h3-5,8-16,23-24,31H,6-7,17-22H2,1-2H3,(H,33,36)/b15-13+
    MOLECULAR FORMULA
    C31H38N4O
    CROSS REFERENCES
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    canSAR142857

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.30
    AlogP 5.02
    HBond donors 1
    HBond acceptors 5
    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 canSAR142857.