canSAR2146754
FEATURES
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NAMES
    SMILES
    N#Cc1c(NC(=O)c2ccccc2Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)sc2c1CCC2
    InChI
    InChI=1S/C29H21N5OS2/c30-17-23-20-8-5-10-26(20)37-29(23)32-28(35)22-7-1-2-9-27(22)36-19-12-13-21-24(33-34-25(21)16-19)14-11-18-6-3-4-15-31-18/h1-4,6-7,9,11-16H,5,8,10H2,(H,32,35)(H,33,34)/b14-11+
    MOLECULAR FORMULA
    C29H21N5OS2
    CROSS REFERENCES
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    canSAR2146754
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight519.12
    AlogP6.95
    HBond donors2
    HBond acceptors6
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2146754.