canSAR388473
FEATURES
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NAMES
    SMILES
    C=CC[C@H](NC(=O)[C@@H]1C[C@@H](CCCc2cccc3ccccc23)c2c(Cl)nc(NCC3CCCCC3)c(=O)n21)B1OC2CC3CC(C3(C)C)[C@@]2(C)O1
    InChI
    InChI=1S/C42H54BClN4O4/c1-5-13-35(43-51-34-24-30-23-33(41(30,2)3)42(34,4)52-43)46-39(49)32-22-29(20-12-19-28-18-11-17-27-16-9-10-21-31(27)28)36-37(44)47-38(40(50)48(32)36)45-25-26-14-7-6-8-15-26/h5,9-11,16-18,21,26,29-30,32-35H,1,6-8,12-15,19-20,22-25H2,2-4H3,(H,45,47)(H,46,49)/t29-,30?,32+,33?,34?,35+,42-/m1/s1
    MOLECULAR FORMULA
    C42H54BClN4O4
    CROSS REFERENCES
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    canSAR388473
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight724.39
    AlogP8.42
    HBond donors2
    HBond acceptors8
    Atoms106
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR388473.