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canSAR779309
FEATURES
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NAMES
    SMILES
    CN[C@H]1[C@H](O[C@@H]2c3cc4c(cc3[C@@H]3[C@H]2OC(=O)[C@@]32C(=O)C=Cc3c(C)cc(OC)cc32)[C@@](O)(C2COC(=O)O2)C=C4)O[C@@H](C)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C35H35NO12/c1-14-9-17(43-4)11-22-18(14)5-6-23(37)35(22)25-19-12-21-16(7-8-34(21,42)24-13-44-33(41)46-24)10-20(19)29(30(25)48-32(35)40)47-31-26(36-3)28(39)27(38)15(2)45-31/h5-12,15,24-31,36,38-39,42H,13H2,1-4H3/t15-,24?,25+,26+,27-,28+,29+,30+,31-,34+,35-/m0/s1
    MOLECULAR FORMULA
    C35H35NO12
    CROSS REFERENCES
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    canSAR779309

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 661.22
    AlogP 1.42
    HBond donors 4
    HBond acceptors 13
    Atoms 83
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR779309.