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canSAR1122694
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NAMES
    SMILES
    CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCc3c(Br)cccc32)C1
    InChI
    InChI=1S/C28H31BrF6N2O/c1-16(2)26(10-9-20(14-26)37-24-8-4-5-21-22(24)6-3-7-23(21)29)25(38)36-15-17-11-18(27(30,31)32)13-19(12-17)28(33,34)35/h3,6-7,11-13,16,20,24,37H,4-5,8-10,14-15H2,1-2H3,(H,36,38)/t20-,24?,26+/m1/s1
    MOLECULAR FORMULA
    C28H31BrF6N2O
    CROSS REFERENCES
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    canSAR1122694

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 604.15
    AlogP 7.96
    HBond donors 2
    HBond acceptors 3
    Atoms 69
    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 canSAR1122694.