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canSAR1101987
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NAMES
    SMILES
    CC(C)c1nc(SCc2ccc(-c3ccccc3C#N)cc2)c2ccccc2n1
    InChI
    InChI=1S/C25H21N3S/c1-17(2)24-27-23-10-6-5-9-22(23)25(28-24)29-16-18-11-13-19(14-12-18)21-8-4-3-7-20(21)15-26/h3-14,17H,16H2,1-2H3
    MOLECULAR FORMULA
    C25H21N3S
    CROSS REFERENCES
    1101987 logo

    canSAR1101987

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.15
    AlogP 6.58
    HBond donors 0
    HBond acceptors 3
    Atoms 50
    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 canSAR1101987.