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canSAR1444440
FEATURES
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NAMES
    SMILES
    COc1ccc(CNC(=O)CCC(=O)Nc2nnc(C(C)C)s2)cc1
    InChI
    InChI=1S/C17H22N4O3S/c1-11(2)16-20-21-17(25-16)19-15(23)9-8-14(22)18-10-12-4-6-13(24-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,22)(H,19,21,23)
    MOLECULAR FORMULA
    C17H22N4O3S
    CROSS REFERENCES
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    canSAR1444440

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 362.14
    AlogP 2.71
    HBond donors 2
    HBond acceptors 7
    Atoms 47
    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 canSAR1444440.