canSAR824038
FEATURES
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NAMES
    SMILES
    COc1ccc2c(c1-c1ccc(N(C)C)cc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C
    InChI
    InChI=1S/C29H30N2O6/c1-30(2)18-8-6-16(7-9-18)22-20(33-4)11-10-19-24(22)29(32)37-26(19)25-23-17(12-13-31(25)3)14-21-27(28(23)34-5)36-15-35-21/h6-11,14,25-26H,12-13,15H2,1-5H3/t25-,26+/m1/s1
    MOLECULAR FORMULA
    C29H30N2O6
    CROSS REFERENCES
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    canSAR824038
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight502.21
    AlogP4.61
    HBond donors0
    HBond acceptors8
    Atoms67
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824038.