canSAR417776
FEATURES
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NAMES
    SMILES
    COC(=O)C(OC(C)=O)C(C)(C)CCNC1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O
    InChI
    InChI=1S/C37H45NO15/c1-16-29(42)20(38-11-10-36(3,4)34(35(47)50-6)52-17(2)40)12-24(51-16)53-22-14-37(48,23(41)15-39)13-19-26(22)33(46)28-27(31(19)44)30(43)18-8-7-9-21(49-5)25(18)32(28)45/h7-9,16,20,22,24,29,34,38-39,42,44,46,48H,10-15H2,1-6H3
    MOLECULAR FORMULA
    C37H45NO15
    CROSS REFERENCES
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    canSAR417776
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight743.28
    AlogP1.15
    HBond donors6
    HBond acceptors16
    Atoms98
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR417776.