canSAR1086174
FEATURES
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NAMES
    SMILES
    Cc1nn(-c2ccccc2)c2nc3c(nc12)/C(=N/N=c1/[nH]c(-c2ccccc2)cs1)c1ccccc1-3
    InChI
    InChI=1S/C28H19N7S/c1-17-23-27(35(34-17)19-12-6-3-7-13-19)31-24-20-14-8-9-15-21(20)25(26(24)30-23)32-33-28-29-22(16-36-28)18-10-4-2-5-11-18/h2-16H,1H3,(H,29,33)/b32-25+
    MOLECULAR FORMULA
    C28H19N7S
    CROSS REFERENCES
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    canSAR1086174
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight485.14
    AlogP5.51
    HBond donors1
    HBond acceptors7
    Atoms55
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1086174.