1025036 logo
canSAR1025036
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cn(C)cn3)n2)cc1
    InChI
    InChI=1S/C20H23N5O4S2/c1-24-11-18(21-13-24)31(27,28)25-10-4-3-5-17(25)19(26)23-20-22-16(12-30-20)14-6-8-15(29-2)9-7-14/h6-9,11-13,17H,3-5,10H2,1-2H3,(H,22,23,26)/t17-/m1/s1
    MOLECULAR FORMULA
    C20H23N5O4S2
    CROSS REFERENCES
    1025036 logo

    canSAR1025036

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.12
    AlogP 2.73
    HBond donors 1
    HBond acceptors 9
    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 canSAR1025036.