1617071 logo
canSAR1617071
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cccc2nc(CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)c(Br)n12
    InChI
    InChI=1S/C16H12BrN5O2S/c1-9-3-2-4-14-18-13(15(17)21(9)14)8-25-16-19-11-6-5-10(22(23)24)7-12(11)20-16/h2-7H,8H2,1H3,(H,19,20)
    MOLECULAR FORMULA
    C16H12BrN5O2S
    CROSS REFERENCES
    1617071 logo

    canSAR1617071

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.99
    AlogP 4.48
    HBond donors 1
    HBond acceptors 7
    Atoms 37
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1617071.