canSAR1632177
FEATURES
Loading...
NAMES
    SMILES
    CCC(COC(=O)C(CCC[N-]C(N)=[NH2+])NS(=O)(=O)c1cccc2c(N(C)C)cccc12)[N+](=O)[O-]
    InChI
    InChI=1S/C22H31N6O6S/c1-4-15(28(30)31)14-34-21(29)18(10-7-13-25-22(23)24)26-35(32,33)20-12-6-8-16-17(20)9-5-11-19(16)27(2)3/h5-6,8-9,11-12,15,18,26H,4,7,10,13-14H2,1-3H3,(H3-,23,24,25)/q-1/p+1
    MOLECULAR FORMULA
    C22H32N6O6S
    CROSS REFERENCES
    Loading...
    canSAR1632177
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight508.21
    AlogP0.38
    HBond donors5
    HBond acceptors12
    Atoms67
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632177.