canSAR1650021
FEATURES
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NAMES
    SMILES
    O=C(N[C@H]1CC[C@@]2(CC1)OC[C@]1(OO2)C2CC3CC(C2)CC1C3)c1ccc(O)c(O)c1
    InChI
    InChI=1S/C24H31NO6/c26-20-2-1-16(12-21(20)27)22(28)25-19-3-5-23(6-4-19)29-13-24(31-30-23)17-8-14-7-15(10-17)11-18(24)9-14/h1-2,12,14-15,17-19,26-27H,3-11,13H2,(H,25,28)/t14?,15?,17?,18?,19-,23+,24-
    MOLECULAR FORMULA
    C24H31NO6
    CROSS REFERENCES
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    canSAR1650021
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight429.22
    AlogP3.64
    HBond donors3
    HBond acceptors7
    Atoms62
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1650021.