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canSAR724442
FEATURES
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NAMES
    SMILES
    CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C(C)(C)CCC1
    InChI
    InChI=1S/C26H32N2O4/c1-18(11-13-22-20(3)10-7-15-26(22,4)5)8-6-9-19(2)16-25(30)27-21-12-14-24(29)23(17-21)28(31)32/h6,8-9,11-14,16-17,29H,7,10,15H2,1-5H3,(H,27,30)/b9-6+,13-11+,18-8+,19-16+
    MOLECULAR FORMULA
    C26H32N2O4
    CROSS REFERENCES
    724442 logo

    canSAR724442

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.24
    AlogP 6.77
    HBond donors 2
    HBond acceptors 6
    Atoms 64
    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 canSAR724442.