canSAR743361
FEATURES
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NAMES
    SMILES
    COc1ccc2cc3[n+](cc2c1OCCCOc1ccc([N+](=O)[O-])cc1)CCc1cc2c(cc1-3)OCO2.[Br-]
    InChI
    InChI=1S/C28H25N2O7.BrH/c1-33-25-8-3-18-13-24-22-15-27-26(36-17-37-27)14-19(22)9-10-29(24)16-23(18)28(25)35-12-2-11-34-21-6-4-20(5-7-21)30(31)32;/h3-8,13-16H,2,9-12,17H2,1H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C28H25BrN2O7
    CROSS REFERENCES
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    canSAR743361
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight580.08
    AlogP1.85
    HBond donors0
    HBond acceptors9
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR743361.