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canSAR1267962
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NAMES
    SMILES
    COc1ccc(-c2nc3sc(C)nn3c2-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1
    InChI
    InChI=1S/C19H14N6O3S/c1-10-23-24-17(18-20-14-8-5-12(25(26)27)9-15(14)21-18)16(22-19(24)29-10)11-3-6-13(28-2)7-4-11/h3-9H,1-2H3,(H,20,21)
    MOLECULAR FORMULA
    C19H14N6O3S
    CROSS REFERENCES
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    canSAR1267962

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.08
    AlogP 4.23
    HBond donors 1
    HBond acceptors 9
    Atoms 43
    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 canSAR1267962.