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canSAR1979985
FEATURES
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NAMES
    SMILES
    Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C28H22N4O3S/c1-19-27(26(33)17-14-20-12-15-23(16-13-20)32(34)35)36-28(29-19)31-25(22-10-6-3-7-11-22)18-24(30-31)21-8-4-2-5-9-21/h2-18,34-35H,1H3
    MOLECULAR FORMULA
    C28H20N4O3S
    CROSS REFERENCES
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    canSAR1979985

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.13
    AlogP 6.78
    HBond donors 0
    HBond acceptors 7
    Atoms 56
    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 canSAR1979985.