1144310 logo
canSAR1144310
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N(S(=O)(=O)O)[C@@H]1CNC(=O)c1cc(=O)c(O)cn1CC(=O)O)c1csc(N)n1)C(=O)O
    InChI
    InChI=1S/C21H23N7O13S2/c1-21(2,19(36)37)41-26-14(8-7-42-20(22)24-8)17(34)25-15-10(28(18(15)35)43(38,39)40)4-23-16(33)9-3-11(29)12(30)5-27(9)6-13(31)32/h3,5,7,10,15,30H,4,6H2,1-2H3,(H2,22,24)(H,23,33)(H,25,34)(H,31,32)(H,36,37)(H,38,39,40)/b26-14-/t10-,15+/m1/s1
    MOLECULAR FORMULA
    C21H23N7O13S2
    CROSS REFERENCES
    1144310 logo

    canSAR1144310

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 645.08
    AlogP -2.81
    HBond donors 8
    HBond acceptors 20
    Atoms 66
    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 canSAR1144310.