canSAR20801
FEATURES
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NAMES
    SMILES
    Cc1n[nH]c(-c2ccc(O)cc2O)c1-c1ccc2c(c1)OCCO2
    InChI
    InChI=1S/C18H16N2O4/c1-10-17(11-2-5-15-16(8-11)24-7-6-23-15)18(20-19-10)13-4-3-12(21)9-14(13)22/h2-5,8-9,21-22H,6-7H2,1H3,(H,19,20)
    MOLECULAR FORMULA
    C18H16N2O4
    CROSS REFERENCES
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    canSAR20801
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight324.11
    AlogP3.23
    HBond donors3
    HBond acceptors6
    Atoms40
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR20801.