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canSAR1590844
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)NO)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O.Cl
    InChI
    InChI=1S/C22H22N2O9.ClH/c1-29-15-3-9(4-16(30-2)20(15)25)17-10-5-13-14(33-8-32-13)6-11(10)19(23-22(27)24-28)12-7-31-21(26)18(12)17;/h3-6,12,17-19,25,28H,7-8H2,1-2H3,(H2,23,24,27);1H/t12-,17+,18-,19+;/m0./s1
    MOLECULAR FORMULA
    C22H23ClN2O9
    CROSS REFERENCES
    1590844 logo

    canSAR1590844

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.11
    AlogP 2.22
    HBond donors 4
    HBond acceptors 11
    Atoms 57
    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 canSAR1590844.