1131368 logo
canSAR1131368
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCS(=O)(=O)CC1
    InChI
    InChI=1S/C21H22FN5O4S/c1-12-3-4-15(14(22)9-12)24-19-13-10-17(27-5-7-32(29,30)8-6-27)18(31-2)11-16(13)25-26-20(19)21(23)28/h3-4,9-11H,5-8H2,1-2H3,(H2,23,28)(H,24,25)
    MOLECULAR FORMULA
    C21H22FN5O4S
    CROSS REFERENCES
    1131368 logo

    canSAR1131368

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.14
    AlogP 2.16
    HBond donors 3
    HBond acceptors 9
    Atoms 54
    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 canSAR1131368.