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canSAR1520659
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Br)ccc32)nn1
    InChI
    InChI=1S/C31H24BrN5O7/c1-43-29-16-21(5-11-25(38)10-4-20-2-8-24(9-3-20)37(41)42)6-13-28(29)44-19-23-18-35(34-33-23)14-15-36-27-12-7-22(32)17-26(27)30(39)31(36)40/h2-13,16-18H,14-15,19H2,1H3/b10-4+,11-5+
    MOLECULAR FORMULA
    C31H24BrN5O7
    CROSS REFERENCES
    1520659 logo

    canSAR1520659

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 657.09
    AlogP 5.06
    HBond donors 0
    HBond acceptors 12
    Atoms 68
    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 canSAR1520659.