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canSAR653877
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NAMES
    SMILES
    [S-]c1n[n+](C23CC4CC(CC(C4)C2)C3)nn1-c1ccccc1
    InChI
    InChI=1S/C17H20N4S/c22-16-18-21(19-20(16)15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2
    MOLECULAR FORMULA
    C17H20N4S
    CROSS REFERENCES
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    canSAR653877

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 312.14
    AlogP 2.39
    HBond donors 0
    HBond acceptors 4
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR653877.