canSAR1809068
FEATURES
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NAMES
    SMILES
    OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc4nccnc4c3)c2)[C@H](O)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C21H21ClN2O5/c22-14-3-2-12(21-20(28)19(27)18(26)17(10-25)29-21)9-13(14)7-11-1-4-15-16(8-11)24-6-5-23-15/h1-6,8-9,17-21,25-28H,7,10H2/t17-,18-,19+,20-,21+/m1/s1
    MOLECULAR FORMULA
    C21H21ClN2O5
    CROSS REFERENCES
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    canSAR1809068
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight416.11
    AlogP1.39
    HBond donors4
    HBond acceptors7
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809068.