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canSAR2001302
FEATURES
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NAMES
    SMILES
    CCN(CC)C1=CC(=O)/C(=C/Nc2sc3c(c2C#N)C2CCN3CC2)C=C1
    InChI
    InChI=1S/C21H24N4OS/c1-3-24(4-2)16-6-5-15(18(26)11-16)13-23-20-17(12-22)19-14-7-9-25(10-8-14)21(19)27-20/h5-6,11,13-14,23H,3-4,7-10H2,1-2H3/b15-13+
    MOLECULAR FORMULA
    C21H24N4OS
    CROSS REFERENCES
    2001302 logo

    canSAR2001302

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.17
    AlogP 3.98
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2001302.