1832677 logo
canSAR1832677
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(C#N)cc4)cc3[C@@H]21
    InChI
    InChI=1S/C26H25N3O3S/c1-17-4-2-3-5-25(17)33(31,32)29-13-12-21-24(16-30)28-23-11-10-20(14-22(23)26(21)29)19-8-6-18(15-27)7-9-19/h2-11,14,21,24,26,28,30H,12-13,16H2,1H3/t21-,24-,26-/m1/s1
    MOLECULAR FORMULA
    C26H25N3O3S
    CROSS REFERENCES
    1832677 logo

    canSAR1832677

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.16
    AlogP 4.07
    HBond donors 2
    HBond acceptors 6
    Atoms 58
    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 canSAR1832677.