1106683 logo
canSAR1106683
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl
    InChI
    InChI=1S/C36H35Cl2N3O5S/c1-35(2)16-27-32(29(42)18-35)31(25-14-7-21(37)15-26(25)38)33-28(17-36(3,4)19-30(33)43)41(27)23-10-5-20(6-11-23)34(44)40-22-8-12-24(13-9-22)47(39,45)46/h5-15,31H,16-19H2,1-4H3,(H,40,44)(H2,39,45,46)
    MOLECULAR FORMULA
    C36H35Cl2N3O5S
    CROSS REFERENCES
    1106683 logo

    canSAR1106683

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 691.17
    AlogP 7.78
    HBond donors 3
    HBond acceptors 8
    Atoms 82
    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 canSAR1106683.