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canSAR1489424
FEATURES
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NAMES
    SMILES
    CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O
    InChI
    InChI=1S/C25H29NO7/c1-6-32-17-8-13(7-14(23(17)29)26(30)31)20-21-15(27)9-24(2,3)11-18(21)33-19-12-25(4,5)10-16(28)22(19)20/h7-8,20,29H,6,9-12H2,1-5H3
    MOLECULAR FORMULA
    C25H29NO7
    CROSS REFERENCES
    1489424 logo

    canSAR1489424

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.19
    AlogP 5.10
    HBond donors 1
    HBond acceptors 8
    Atoms 62
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1489424.