canSAR424338
FEATURES
Loading...
NAMES
    SMILES
    COc1cc2cc(C(=O)C3CN(CCl)c4cc(NC(=O)OCc5cnc([N+](=O)[O-])n5C)c5ccccc5c43)[nH]c2c(OC)c1OC
    InChI
    InChI=1S/C31H29ClN6O8/c1-36-17(12-33-30(36)38(41)42)14-46-31(40)35-21-11-23-25(19-8-6-5-7-18(19)21)20(13-37(23)15-32)27(39)22-9-16-10-24(43-2)28(44-3)29(45-4)26(16)34-22/h5-12,20,34H,13-15H2,1-4H3,(H,35,40)
    MOLECULAR FORMULA
    C31H29ClN6O8
    CROSS REFERENCES
    Loading...
    canSAR424338
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight648.17
    AlogP5.72
    HBond donors2
    HBond acceptors14
    Atoms75
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR424338.