canSAR740061
FEATURES
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NAMES
    SMILES
    O=C1/C(=C/C2CCCCC2)S/C(=N\c2ccccc2)N1c1ccccc1
    InChI
    InChI=1S/C22H22N2OS/c25-21-20(16-17-10-4-1-5-11-17)26-22(23-18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h2-3,6-9,12-17H,1,4-5,10-11H2/b20-16-,23-22-
    MOLECULAR FORMULA
    C22H22N2OS
    CROSS REFERENCES
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    canSAR740061
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight362.15
    AlogP5.92
    HBond donors0
    HBond acceptors3
    Atoms48
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR740061.