canSAR1746658
FEATURES
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NAMES
    SMILES
    C[C@@H](C1CCC2[C@H]3C(=CC[C@]12C)[C@@H](C)[C@]1(CCC(=O)O1)[C@@H]1O[C@H]31)[C@H]1C[C@@]2(C)O[C@@](c3cccnc3)(O1)OC2(C)C
    InChI
    InChI=1S/C33H43NO6/c1-18(24-16-31(6)29(3,4)39-33(37-24,40-31)20-8-7-15-34-17-20)22-9-10-23-26-21(11-13-30(22,23)5)19(2)32(28-27(26)36-28)14-12-25(35)38-32/h7-8,11,15,17-19,22-24,26-28H,9-10,12-14,16H2,1-6H3/t18-,19+,22?,23?,24+,26+,27+,28+,30+,31+,32+,33-/m0/s1
    MOLECULAR FORMULA
    C33H43NO6
    CROSS REFERENCES
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    canSAR1746658
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight549.31
    AlogP5.67
    HBond donors0
    HBond acceptors7
    Atoms83
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746658.