501382 logo
canSAR501382
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1nccc2c1[nH]c1cc(OCC(=O)OCc3ccccc3)ccc12
    InChI
    InChI=1S/C21H18N2O3/c1-14-21-18(9-10-22-14)17-8-7-16(11-19(17)23-21)25-13-20(24)26-12-15-5-3-2-4-6-15/h2-11,23H,12-13H2,1H3
    MOLECULAR FORMULA
    C21H18N2O3
    CROSS REFERENCES
    501382 logo

    canSAR501382

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 346.13
    AlogP 4.15
    HBond donors 1
    HBond acceptors 5
    Atoms 44
    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 canSAR501382.