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canSAR1716854
FEATURES
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NAMES
    SMILES
    O=C(CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)NCc1cccc2ccccc12
    InChI
    InChI=1S/C22H23N3O6/c26-17(23-12-14-6-3-5-13-4-1-2-7-15(13)14)9-8-16-19(28)20(29)21(31-16)25-11-10-18(27)24-22(25)30/h1-7,10-11,16,19-21,28-29H,8-9,12H2,(H,23,26)(H,24,27,30)/t16-,19-,20-,21-/m1/s1
    MOLECULAR FORMULA
    C22H23N3O6
    CROSS REFERENCES
    1716854 logo

    canSAR1716854

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.16
    AlogP 0.41
    HBond donors 4
    HBond acceptors 9
    Atoms 54
    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 canSAR1716854.