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canSAR1688013
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NAMES
    SMILES
    CN(C)c1ccc(-c2nccc(NCc3cccs3)n2)cc1
    InChI
    InChI=1S/C17H18N4S/c1-21(2)14-7-5-13(6-8-14)17-18-10-9-16(20-17)19-12-15-4-3-11-22-15/h3-11H,12H2,1-2H3,(H,18,19,20)
    MOLECULAR FORMULA
    C17H18N4S
    CROSS REFERENCES
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    canSAR1688013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 310.13
    AlogP 3.88
    HBond donors 1
    HBond acceptors 4
    Atoms 40
    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 canSAR1688013.