1689714 logo
canSAR1689714
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)cc1
    InChI
    InChI=1S/C21H27N3O4S2/c1-28-19-6-4-18(5-7-19)22-12-14-23(15-13-22)21(25)17-8-10-24(11-9-17)30(26,27)20-3-2-16-29-20/h2-7,16-17H,8-15H2,1H3
    MOLECULAR FORMULA
    C21H27N3O4S2
    CROSS REFERENCES
    1689714 logo

    canSAR1689714

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.14
    AlogP 2.51
    HBond donors 0
    HBond acceptors 7
    Atoms 57
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1689714.