canSAR1087875
FEATURES
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NAMES
    SMILES
    C=CCOCCC[C@@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
    InChI
    InChI=1S/C40H51ClN2O9/c1-6-19-49-20-11-14-29-24-42-38(45)31(23-27-17-18-33(48-5)30(41)22-27)43-35(44)16-10-15-32(50-40(47)34(21-25(2)3)51-39(29)46)26(4)36-37(52-36)28-12-8-7-9-13-28/h6-10,12-13,16-18,22,25-26,29,31-32,34,36-37H,1,11,14-15,19-21,23-24H2,2-5H3,(H,42,45)(H,43,44)/b16-10+/t26-,29+,31+,32-,34-,36+,37+/m0/s1
    MOLECULAR FORMULA
    C40H51ClN2O9
    CROSS REFERENCES
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    canSAR1087875
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight738.33
    AlogP5.70
    HBond donors2
    HBond acceptors11
    Atoms103
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087875.