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canSAR1638325
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NAMES
    SMILES
    Cc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)c1C
    InChI
    InChI=1S/C22H24N4OS/c1-15-8-7-11-17(16(15)2)23-20(27)14-28-22-21(26-12-5-6-13-26)24-18-9-3-4-10-19(18)25-22/h3-4,7-11H,5-6,12-14H2,1-2H3,(H,23,27)
    MOLECULAR FORMULA
    C22H24N4OS
    CROSS REFERENCES
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    canSAR1638325

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 392.17
    AlogP 4.58
    HBond donors 1
    HBond acceptors 5
    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 canSAR1638325.