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canSAR1687881
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NAMES
    SMILES
    CCn1c(S)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12
    InChI
    InChI=1S/C20H18N4S/c1-3-24-19(22-23-20(24)25)16-12-18(14-10-8-13(2)9-11-14)21-17-7-5-4-6-15(16)17/h4-12H,3H2,1-2H3,(H,23,25)
    MOLECULAR FORMULA
    C20H18N4S
    CROSS REFERENCES
    1687881 logo

    canSAR1687881

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 346.13
    AlogP 4.78
    HBond donors 0
    HBond acceptors 4
    Atoms 43
    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 canSAR1687881.