653401 logo
canSAR653401
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Nc1ccc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)O)cn1
    InChI
    InChI=1S/C23H17F2N3O2S/c24-16-6-1-13(2-7-16)21(14-3-8-17(25)9-4-14)23-28-22(18(31-23)11-20(29)30)15-5-10-19(26)27-12-15/h1-10,12,21H,11H2,(H2,26,27)(H,29,30)
    MOLECULAR FORMULA
    C23H17F2N3O2S
    CROSS REFERENCES
    653401 logo

    canSAR653401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.10
    AlogP 4.87
    HBond donors 3
    HBond acceptors 5
    Atoms 48
    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 canSAR653401.