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canSAR1516146
FEATURES
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NAMES
    SMILES
    CCOc1cc(OCC)c(OCC)cc1/C=C/c1cc(Br)c2cc(C(=N)N)ccc2c1
    InChI
    InChI=1S/C25H27BrN2O3/c1-4-29-22-15-24(31-6-3)23(30-5-2)14-18(22)8-7-16-11-17-9-10-19(25(27)28)13-20(17)21(26)12-16/h7-15H,4-6H2,1-3H3,(H3,27,28)/b8-7+
    MOLECULAR FORMULA
    C25H27BrN2O3
    CROSS REFERENCES
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    canSAR1516146

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.12
    AlogP 6.25
    HBond donors 3
    HBond acceptors 5
    Atoms 58
    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 canSAR1516146.