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canSAR398699
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NAMES
    SMILES
    C/N=C(/S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCO
    InChI
    InChI=1S/C15H22N2OS/c1-16-14(19)15(13-6-4-9-17-11-13)8-3-2-5-12(15)7-10-18/h4,6,9,11-12,18H,2-3,5,7-8,10H2,1H3,(H,16,19)/t12-,15+/m1/s1
    MOLECULAR FORMULA
    C15H22N2OS
    CROSS REFERENCES
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    canSAR398699

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 278.15
    AlogP 2.85
    HBond donors 1
    HBond acceptors 3
    Atoms 41
    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 canSAR398699.