561503 logo
canSAR561503
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN(C)CCNC(=O)Cc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O.Cl
    InChI
    InChI=1S/C20H20N2O5.ClH/c1-22(2)8-7-21-15(24)10-11-9-14(23)16-17(18(11)25)20(27)13-6-4-3-5-12(13)19(16)26;/h3-6,9,23,25H,7-8,10H2,1-2H3,(H,21,24);1H
    MOLECULAR FORMULA
    C20H21ClN2O5
    CROSS REFERENCES
    561503 logo

    canSAR561503

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.11
    AlogP 1.52
    HBond donors 3
    HBond acceptors 7
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR561503.