canSAR1746640
FEATURES
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NAMES
    SMILES
    CN(C)C1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12
    InChI
    InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14?,15-,21-/m0/s1
    MOLECULAR FORMULA
    C21H21ClN2O8
    CROSS REFERENCES
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    canSAR1746640
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight464.10
    AlogP0.26
    HBond donors7
    HBond acceptors10
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746640.