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canSAR391007
FEATURES
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NAMES
    SMILES
    OC[C@H]1O[C@@H](Oc2c3ccccc3c3nccc4cc[nH]c2c43)[C@H](O)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C21H20N2O6/c24-9-13-17(25)18(26)19(27)21(28-13)29-20-12-4-2-1-3-11(12)15-14-10(5-7-22-15)6-8-23-16(14)20/h1-8,13,17-19,21,23-27H,9H2/t13-,17-,18+,19-,21+/m1/s1
    MOLECULAR FORMULA
    C21H20N2O6
    CROSS REFERENCES
    391007 logo

    canSAR391007

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.13
    AlogP 1.05
    HBond donors 5
    HBond acceptors 8
    Atoms 49
    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 canSAR391007.