828181 logo
canSAR828181
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(NCCCN(C1=NS(=O)(=O)c2ccccc21)C1CCCC1)c1ccc(F)cc1
    InChI
    InChI=1S/C22H24FN3O3S/c23-17-12-10-16(11-13-17)22(27)24-14-5-15-26(18-6-1-2-7-18)21-19-8-3-4-9-20(19)30(28,29)25-21/h3-4,8-13,18H,1-2,5-7,14-15H2,(H,24,27)
    MOLECULAR FORMULA
    C22H24FN3O3S
    CROSS REFERENCES
    828181 logo

    canSAR828181

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.15
    AlogP 3.34
    HBond donors 1
    HBond acceptors 6
    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 canSAR828181.