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canSAR1012432
FEATURES
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NAMES
    SMILES
    COc1ccc2cc(CCC(=O)CC(Nc3cc(C)on3)c3cccc([N+](=O)[O-])c3)ccc2c1
    InChI
    InChI=1S/C26H25N3O5/c1-17-12-26(28-34-17)27-25(21-4-3-5-22(14-21)29(31)32)16-23(30)10-7-18-6-8-20-15-24(33-2)11-9-19(20)13-18/h3-6,8-9,11-15,25H,7,10,16H2,1-2H3,(H,27,28)
    MOLECULAR FORMULA
    C26H25N3O5
    CROSS REFERENCES
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    canSAR1012432

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.18
    AlogP 5.80
    HBond donors 1
    HBond acceptors 8
    Atoms 59
    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 canSAR1012432.