670137 logo
canSAR670137
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CNC(=O)CSc1cc(-c2nn(CCCN3CCC(N4CCCC4=O)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1C(F)(F)F
    InChI
    InChI=1S/C29H39F3N6O4S2/c1-33-26(39)19-43-25-17-20(6-7-23(25)29(30,31)32)28-22-18-36(44(2,41)42)16-10-24(22)38(34-28)13-4-11-35-14-8-21(9-15-35)37-12-3-5-27(37)40/h6-7,17,21H,3-5,8-16,18-19H2,1-2H3,(H,33,39)
    MOLECULAR FORMULA
    C29H39F3N6O4S2
    CROSS REFERENCES
    670137 logo

    canSAR670137

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 656.24
    AlogP 3.20
    HBond donors 1
    HBond acceptors 10
    Atoms 83
    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 canSAR670137.