canSAR1632123
FEATURES
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NAMES
    SMILES
    CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(Br)cc3)[n+](C)c3ccccc32)C1.[Cl-]
    InChI
    InChI=1S/C26H32BrN2O2.ClH/c1-17(2)21-14-9-18(3)15-24(21)31-25(30)16-29-23-8-6-5-7-22(23)28(4)26(29)19-10-12-20(27)13-11-19;/h5-8,10-13,17-18,21,24H,9,14-16H2,1-4H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C26H32BrClN2O2
    CROSS REFERENCES
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    canSAR1632123
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight518.13
    AlogP2.90
    HBond donors0
    HBond acceptors4
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632123.