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canSAR1203445
FEATURES
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NAMES
    SMILES
    CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C=C\CCc3coc(CCCNC(=O)OC)n3)C[C@H](CC(=O)O1)O2
    InChI
    InChI=1S/C31H46N2O9/c1-5-9-23-16-24(37-3)14-21(2)15-25-17-26(18-27(40-25)19-30(35)41-23)42-29(34)12-7-6-10-22-20-39-28(33-22)11-8-13-32-31(36)38-4/h7,12,15,20,23-27H,5-6,8-11,13-14,16-19H2,1-4H3,(H,32,36)/b12-7-,21-15-/t23-,24-,25+,26+,27+/m0/s1
    MOLECULAR FORMULA
    C31H46N2O9
    CROSS REFERENCES
    1203445 logo

    canSAR1203445

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 590.32
    AlogP 4.77
    HBond donors 1
    HBond acceptors 11
    Atoms 88
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1203445.