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canSAR1266550
FEATURES
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NAMES
    SMILES
    CCc1nnc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)s1
    InChI
    InChI=1S/C21H19N7O3S2/c1-3-18-23-25-20(33-18)22-17(29)12-32-21-26-24-19(14-6-10-16(11-7-14)28(30)31)27(21)15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3,(H,22,25,29)
    MOLECULAR FORMULA
    C21H19N7O3S2
    CROSS REFERENCES
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    canSAR1266550

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.10
    AlogP 4.30
    HBond donors 1
    HBond acceptors 10
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1266550.