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canSAR1201637
FEATURES
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NAMES
    SMILES
    Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CSC3c3ccc([N+](=O)[O-])cc3)nc12
    InChI
    InChI=1S/C28H21N7O4S/c1-17-23-26(33(31-17)20-10-6-3-7-11-20)30-24(18-8-4-2-5-9-18)25(29-23)27(37)32-34-22(36)16-40-28(34)19-12-14-21(15-13-19)35(38)39/h2-15,28H,16H2,1H3,(H,32,37)
    MOLECULAR FORMULA
    C28H21N7O4S
    CROSS REFERENCES
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    canSAR1201637

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.14
    AlogP 4.62
    HBond donors 1
    HBond acceptors 11
    Atoms 61
    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 canSAR1201637.