114505 logo
canSAR114505
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)S(=O)(=O)N1
    InChI
    InChI=1S/C31H25F3N4O5S2/c32-31(33,34)23-12-15-25-26(17-23)36-30(35-25)27(16-19-6-8-22(9-7-19)28-18-29(39)38-45(28,42)43)37-44(40,41)24-13-10-21(11-14-24)20-4-2-1-3-5-20/h1-15,17,27-28,37H,16,18H2,(H,35,36)(H,38,39)
    MOLECULAR FORMULA
    C31H25F3N4O5S2
    CROSS REFERENCES
    114505 logo

    canSAR114505

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 654.12
    AlogP 5.40
    HBond donors 3
    HBond acceptors 9
    Atoms 70
    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 canSAR114505.