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canSAR1596240
FEATURES
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NAMES
    SMILES
    COc1cc(CC2c3cc(O)c(O)cc3CCN2Cc2cccc([N+](=O)[O-])c2)cc(OC)c1OC
    InChI
    InChI=1S/C26H28N2O7/c1-33-24-11-17(12-25(34-2)26(24)35-3)10-21-20-14-23(30)22(29)13-18(20)7-8-27(21)15-16-5-4-6-19(9-16)28(31)32/h4-6,9,11-14,21,29-30H,7-8,10,15H2,1-3H3
    MOLECULAR FORMULA
    C26H28N2O7
    CROSS REFERENCES
    1596240 logo

    canSAR1596240

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.19
    AlogP 4.37
    HBond donors 2
    HBond acceptors 9
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1596240.