canSAR742975
FEATURES
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NAMES
    SMILES
    COc1ccc2cc3[n+](cc2c1OCCCOc1ccc(Br)cc1)CCc1cc2c(cc1-3)OCO2.[Br-]
    InChI
    InChI=1S/C28H25BrNO5.BrH/c1-31-25-8-3-18-13-24-22-15-27-26(34-17-35-27)14-19(22)9-10-30(24)16-23(18)28(25)33-12-2-11-32-21-6-4-20(29)5-7-21;/h3-8,13-16H,2,9-12,17H2,1H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C28H25Br2NO5
    CROSS REFERENCES
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    canSAR742975
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight613.01
    AlogP2.70
    HBond donors0
    HBond acceptors6
    Atoms61
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR742975.