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canSAR784250
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NAMES
    SMILES
    CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3ccccc3Cl)cc1)C2
    InChI
    InChI=1S/C31H30Cl2N4O3/c1-31(2)15-28-26(29(38)16-31)18-36(20-37(28)24-9-7-22(32)8-10-24)23-11-13-25(14-12-23)40-19-30(39)35-34-17-21-5-3-4-6-27(21)33/h3-14,17H,15-16,18-20H2,1-2H3,(H,35,39)/b34-17+
    MOLECULAR FORMULA
    C31H30Cl2N4O3
    CROSS REFERENCES
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    canSAR784250

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 576.17
    AlogP 6.45
    HBond donors 1
    HBond acceptors 7
    Atoms 70
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR784250.