canSAR1834631
FEATURES
Loading...
NAMES
    SMILES
    Cc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc6cc(S(=O)(=O)O)ccc6c5)c(S(=O)(=O)O)cc4c3)ccc2c1O
    InChI
    InChI=1S/C38H28N6O12S3/c1-20-4-2-3-5-31(20)42-44-35-33(59(54,55)56)19-24-16-26(10-13-30(24)37(35)46)40-38(47)39-25-9-12-29-23(15-25)18-32(58(51,52)53)34(36(29)45)43-41-27-8-6-22-17-28(57(48,49)50)11-7-21(22)14-27/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)
    MOLECULAR FORMULA
    C38H28N6O12S3
    CROSS REFERENCES
    Loading...
    canSAR1834631
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight856.09
    AlogP9.08
    HBond donors7
    HBond acceptors18
    Atoms87
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1834631.