466547 logo
canSAR466547
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(-n2nc(CC(C(=O)O)c3cccc(OC)c3)cc2-c2ccc(C)cc2)cc1
    InChI
    InChI=1S/C27H26N2O4/c1-18-7-9-19(10-8-18)26-17-21(28-29(26)22-11-13-23(32-2)14-12-22)16-25(27(30)31)20-5-4-6-24(15-20)33-3/h4-15,17,25H,16H2,1-3H3,(H,30,31)
    MOLECULAR FORMULA
    C27H26N2O4
    CROSS REFERENCES
    466547 logo

    canSAR466547

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.19
    AlogP 5.28
    HBond donors 1
    HBond acceptors 6
    Atoms 59
    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 canSAR466547.