canSAR1632399
FEATURES
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NAMES
    SMILES
    C=CC(=O)Nc1c(F)cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc1I
    InChI
    InChI=1S/C25H27F4IN4O2/c1-4-21(35)33-22-18(26)11-17(12-19(22)30)15(3)24(36)31-13-16-5-6-20(25(27,28)29)32-23(16)34-9-7-14(2)8-10-34/h4-6,11-12,14-15H,1,7-10,13H2,2-3H3,(H,31,36)(H,33,35)
    MOLECULAR FORMULA
    C25H27F4IN4O2
    CROSS REFERENCES
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    canSAR1632399
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight618.11
    AlogP5.62
    HBond donors2
    HBond acceptors6
    Atoms63
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632399.