canSAR1846270
FEATURES
Loading...
NAMES
    SMILES
    COc1ccc(C2CC(=O)c3cc(-c4nc(-c5cccc([N+](=O)[O-])c5)cs4)c(=O)n(-c4cccc(C)c4)c3C2)cc1
    InChI
    InChI=1S/C32H25N3O5S/c1-19-5-3-7-23(13-19)34-29-15-22(20-9-11-25(40-2)12-10-20)16-30(36)26(29)17-27(32(34)37)31-33-28(18-41-31)21-6-4-8-24(14-21)35(38)39/h3-14,17-18,22H,15-16H2,1-2H3
    MOLECULAR FORMULA
    C32H25N3O5S
    CROSS REFERENCES
    Loading...
    canSAR1846270
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight563.15
    AlogP6.77
    HBond donors0
    HBond acceptors8
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846270.