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canSAR1589246
FEATURES
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NAMES
    SMILES
    C#CCNC(=O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1
    InChI
    InChI=1S/C26H23NO6/c1-2-11-27-26(30)23-12-19(21-16-31-22-6-4-3-5-20(22)25(21)29)13-24(33-23)32-15-18-9-7-17(14-28)8-10-18/h1,3-10,12,16,19,24,28H,11,13-15H2,(H,27,30)/t19-,24+/m0/s1
    MOLECULAR FORMULA
    C26H23NO6
    CROSS REFERENCES
    1589246 logo

    canSAR1589246

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.15
    AlogP 2.97
    HBond donors 2
    HBond acceptors 7
    Atoms 56
    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 canSAR1589246.