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canSAR831996
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NAMES
    SMILES
    C[C@]12CC[C@@H]3c4ccc(OCCCCCCCBr)cc4CC[C@H]3[C@@H]1CCC2=O
    InChI
    InChI=1S/C25H35BrO2/c1-25-14-13-21-20-10-8-19(28-16-6-4-2-3-5-15-26)17-18(20)7-9-22(21)23(25)11-12-24(25)27/h8,10,17,21-23H,2-7,9,11-16H2,1H3/t21-,22-,23+,25+/m1/s1
    MOLECULAR FORMULA
    C25H35BrO2
    CROSS REFERENCES
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    canSAR831996

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.18
    AlogP 6.84
    HBond donors 0
    HBond acceptors 2
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831996.