canSAR1087873
FEATURES
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NAMES
    SMILES
    Cc1nn(-c2ccccc2)c2nc3c(nc12)/C(=N/N=C1/NC(=O)CS1)c1ccccc1-3
    InChI
    InChI=1S/C22H15N7OS/c1-12-17-21(29(28-12)13-7-3-2-4-8-13)25-18-14-9-5-6-10-15(14)19(20(18)24-17)26-27-22-23-16(30)11-31-22/h2-10H,11H2,1H3,(H,23,27,30)/b26-19+
    MOLECULAR FORMULA
    C22H15N7OS
    CROSS REFERENCES
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    canSAR1087873
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight425.11
    AlogP3.08
    HBond donors1
    HBond acceptors8
    Atoms46
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087873.