canSAR2822
FEATURES
Loading...
NAMES
    SMILES
    O=C(CN(N1CCC(O)(c2ccccc2)CC1)N1CCC(O)(c2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1c1ccc(Cl)c(Cl)c1
    InChI
    InChI=1S/C43H45Cl2F6N5O3/c44-36-12-11-31(25-37(36)45)38-28-52(27-30-23-34(42(46,47)48)26-35(24-30)43(49,50)51)21-22-55(38)39(57)29-56(53-17-13-40(58,14-18-53)32-7-3-1-4-8-32)54-19-15-41(59,16-20-54)33-9-5-2-6-10-33/h1-12,23-26,38,58-59H,13-22,27-29H2
    MOLECULAR FORMULA
    C43H45Cl2F6N5O3
    CROSS REFERENCES
    Loading...
    canSAR2822
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight863.28
    AlogP8.52
    HBond donors2
    HBond acceptors8
    Atoms104
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2822.