canSAR2095975
FEATURES
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NAMES
    SMILES
    COc1cc(C2c3cc4c(cc3[C@H](OC(=O)C(Cc3ccccc3)N3C(=O)C5CCCCC5C3=O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC
    InChI
    InChI=1S/C39H39NO11/c1-45-30-14-21(15-31(46-2)35(30)47-3)32-24-16-28-29(50-19-49-28)17-25(24)34(26-18-48-39(44)33(26)32)51-38(43)27(13-20-9-5-4-6-10-20)40-36(41)22-11-7-8-12-23(22)37(40)42/h4-6,9-10,14-17,22-23,26-27,32-34H,7-8,11-13,18-19H2,1-3H3/t22?,23?,26-,27?,32?,33-,34-/m0/s1
    MOLECULAR FORMULA
    C39H39NO11
    CROSS REFERENCES
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    canSAR2095975
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight697.25
    AlogP4.75
    HBond donors0
    HBond acceptors12
    Atoms90
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095975.