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canSAR1068781
FEATURES
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NAMES
    SMILES
    OC[C@H]1O[C@@H](n2c3ccc(-c4ccoc4)cc3c3c(-c4ccco4)ncnc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C23H19N3O6/c27-9-17-20(28)21(29)23(32-17)26-15-4-3-12(13-5-7-30-10-13)8-14(15)18-19(16-2-1-6-31-16)24-11-25-22(18)26/h1-8,10-11,17,20-21,23,27-29H,9H2/t17-,20-,21-,23-/m1/s1
    MOLECULAR FORMULA
    C23H19N3O6
    CROSS REFERENCES
    1068781 logo

    canSAR1068781

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.13
    AlogP 2.72
    HBond donors 3
    HBond acceptors 9
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1068781.