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canSAR1129597
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NAMES
    SMILES
    O=C(O)CCCn1c2c(sc3ccccc32)c(=O)n2nnc(-c3ccccc3)c12
    InChI
    InChI=1S/C21H16N4O3S/c26-16(27)11-6-12-24-18-14-9-4-5-10-15(14)29-19(18)21(28)25-20(24)17(22-23-25)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,26,27)
    MOLECULAR FORMULA
    C21H16N4O3S
    CROSS REFERENCES
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    canSAR1129597

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.09
    AlogP 3.79
    HBond donors 1
    HBond acceptors 7
    Atoms 45
    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 canSAR1129597.