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canSAR2004217
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)c2c(C)c(CCC#N)n3ccccc23)cc(OC)c1OC
    InChI
    InChI=1S/C22H22N2O4/c1-14-16(9-7-10-23)24-11-6-5-8-17(24)20(14)21(25)15-12-18(26-2)22(28-4)19(13-15)27-3/h5-6,8,11-13H,7,9H2,1-4H3
    MOLECULAR FORMULA
    C22H22N2O4
    CROSS REFERENCES
    2004217 logo

    canSAR2004217

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.16
    AlogP 3.96
    HBond donors 0
    HBond acceptors 6
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2004217.