1492642 logo
canSAR1492642
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(CN=O)cc2n1Cc1ccccc1
    InChI
    InChI=1S/C27H25F2N3O2/c1-17(2)26-25(27(33)30-14-19-9-11-22(28)23(29)12-19)21-10-8-20(15-31-34)13-24(21)32(26)16-18-6-4-3-5-7-18/h3-13,17H,14-16H2,1-2H3,(H,30,33)
    MOLECULAR FORMULA
    C27H25F2N3O2
    CROSS REFERENCES
    1492642 logo

    canSAR1492642

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.19
    AlogP 6.29
    HBond donors 1
    HBond acceptors 5
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1492642.