canSAR823621
FEATURES
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NAMES
    SMILES
    COc1ccc(N2C[C@H](O)[C@H](OCC34C[C@@H]5[C@H](C)CC[C@H]5C5(C=O)CC3C=C(C(C)C)[C@@]45C(=O)O)O[C@H](C)C2)cc1
    InChI
    InChI=1S/C33H45NO7/c1-19(2)27-12-22-13-31(17-35)26-11-6-20(3)25(26)14-32(22,33(27,31)30(37)38)18-40-29-28(36)16-34(15-21(4)41-29)23-7-9-24(39-5)10-8-23/h7-10,12,17,19-22,25-26,28-29,36H,6,11,13-16,18H2,1-5H3,(H,37,38)/t20-,21-,22?,25-,26-,28+,29-,31?,32?,33+/m1/s1
    MOLECULAR FORMULA
    C33H45NO7
    CROSS REFERENCES
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    canSAR823621
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight567.32
    AlogP4.55
    HBond donors2
    HBond acceptors8
    Atoms86
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823621.