canSAR2062146
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OCC(=O)Nc1ccccc1Cl
    InChI
    InChI=1S/C29H26ClNO8/c1-34-23-9-16(10-24(35-2)28(23)36-13-25(32)31-20-6-4-3-5-19(20)30)26-18-11-22-21(38-14-39-22)8-15(18)7-17-12-37-29(33)27(17)26/h3-6,8-11,17,26-27H,7,12-14H2,1-2H3,(H,31,32)/t17-,26+,27-/m0/s1
    MOLECULAR FORMULA
    C29H26ClNO8
    CROSS REFERENCES
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    canSAR2062146
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight551.13
    AlogP4.58
    HBond donors1
    HBond acceptors9
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2062146.