canSAR1604953
FEATURES
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NAMES
    SMILES
    C=CCn1c(C)cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c1C
    InChI
    InChI=1S/C20H22N4OS2/c1-4-10-24-14(2)11-17(15(24)3)18(25)13-26-20-23-22-19(27-20)21-12-16-8-6-5-7-9-16/h4-9,11H,1,10,12-13H2,2-3H3,(H,21,22)
    MOLECULAR FORMULA
    C20H22N4OS2
    CROSS REFERENCES
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    canSAR1604953
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight398.12
    AlogP4.73
    HBond donors1
    HBond acceptors5
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1604953.