545923 logo
canSAR545923
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CNC(=O)Oc1cccc(CN(C)CC#CCOc2ccc3c(=O)c4ccccc4oc3c2)c1.Cl
    InChI
    InChI=1S/C27H24N2O5.ClH/c1-28-27(31)33-21-9-7-8-19(16-21)18-29(2)14-5-6-15-32-20-12-13-23-25(17-20)34-24-11-4-3-10-22(24)26(23)30;/h3-4,7-13,16-17H,14-15,18H2,1-2H3,(H,28,31);1H
    MOLECULAR FORMULA
    C27H25ClN2O5
    CROSS REFERENCES
    545923 logo

    canSAR545923

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.15
    AlogP 4.60
    HBond donors 1
    HBond acceptors 7
    Atoms 60
    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 canSAR545923.