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canSAR463187
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C31H27N3O4/c1-2-38-30(35)31(26-16-10-5-11-17-26)28(24-18-20-27(21-19-24)34(36)37)33(22-23-12-6-3-7-13-23)29(32-31)25-14-8-4-9-15-25/h3-21,28H,2,22H2,1H3/t28-,31-/m1/s1
    MOLECULAR FORMULA
    C31H27N3O4
    CROSS REFERENCES
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    canSAR463187

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.20
    AlogP 6.06
    HBond donors 0
    HBond acceptors 7
    Atoms 65
    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 canSAR463187.