canSAR540324
FEATURES
Loading...
NAMES
    SMILES
    C[n+]1c(-c2ccc(/C=N/NC(=N)N)cc2)cn2ccsc21.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)[O-])cc1
    InChI
    InChI=1S/C14H15N6S.2C7H8O3S/c1-19-12(9-20-6-7-21-14(19)20)11-4-2-10(3-5-11)8-17-18-13(15)16;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,1H3,(H4,15,16,18);2*2-5H,1H3,(H,8,9,10)/q+1;;/p-1/b17-8+;;
    MOLECULAR FORMULA
    C28H30N6O6S3
    CROSS REFERENCES
    Loading...
    canSAR540324
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight642.14
    AlogP3.45
    HBond donors5
    HBond acceptors12
    Atoms73
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR540324.