canSAR2063695
FEATURES
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NAMES
    SMILES
    Cc1nc(NC(C)c2cccc(OCCN(C)C)c2)cc(-c2ccc3ncsc3c2)n1
    InChI
    InChI=1S/C24H27N5OS/c1-16(18-6-5-7-20(12-18)30-11-10-29(3)4)26-24-14-22(27-17(2)28-24)19-8-9-21-23(13-19)31-15-25-21/h5-9,12-16H,10-11H2,1-4H3,(H,26,27,28)
    MOLECULAR FORMULA
    C24H27N5OS
    CROSS REFERENCES
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    canSAR2063695
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight433.19
    AlogP5.18
    HBond donors1
    HBond acceptors6
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2063695.