1636046 logo
canSAR1636046
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccn2c3c(nc2c1)CCNC3
    InChI
    InChI=1S/C22H17F3N4O/c23-22(24,25)16-3-1-14(2-4-16)15-6-9-28(21(30)11-15)17-7-10-29-19-13-26-8-5-18(19)27-20(29)12-17/h1-4,6-7,9-12,26H,5,8,13H2
    MOLECULAR FORMULA
    C22H17F3N4O
    CROSS REFERENCES
    1636046 logo

    canSAR1636046

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.14
    AlogP 3.82
    HBond donors 1
    HBond acceptors 5
    Atoms 47
    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 canSAR1636046.