1128992 logo
canSAR1128992
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COCCNCc1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
    InChI
    InChI=1S/C35H34F4N6O2S/c1-47-18-17-40-19-31-42-43-32(45(31)20-23-5-9-25(10-6-23)26-11-13-27(14-12-26)35(37,38)39)21-44-30-4-2-3-29(30)33(46)41-34(44)48-22-24-7-15-28(36)16-8-24/h5-16,40H,2-4,17-22H2,1H3
    MOLECULAR FORMULA
    C35H34F4N6O2S
    CROSS REFERENCES
    1128992 logo

    canSAR1128992

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 678.24
    AlogP 6.27
    HBond donors 1
    HBond acceptors 8
    Atoms 82
    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 canSAR1128992.