462564 logo
canSAR462564
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)Nc1ncc(NC(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1
    InChI
    InChI=1S/C22H18F3N5O3/c1-12-6-7-14(19(32)29-16-5-3-4-15(9-16)22(23,24)25)8-18(12)20(33)30-17-10-26-21(27-11-17)28-13(2)31/h3-11H,1-2H3,(H,29,32)(H,30,33)(H,26,27,28,31)
    MOLECULAR FORMULA
    C22H18F3N5O3
    CROSS REFERENCES
    462564 logo

    canSAR462564

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.14
    AlogP 4.27
    HBond donors 3
    HBond acceptors 8
    Atoms 51
    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 canSAR462564.