canSAR2145705
FEATURES
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NAMES
    SMILES
    COc1cccc(CNC(=O)c2ccccc2Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
    InChI
    InChI=1S/C29H24N4O2S/c1-35-22-9-6-7-20(17-22)19-31-29(34)25-10-2-3-11-28(25)36-23-13-14-24-26(32-33-27(24)18-23)15-12-21-8-4-5-16-30-21/h2-18H,19H2,1H3,(H,31,34)(H,32,33)/b15-12+
    MOLECULAR FORMULA
    C29H24N4O2S
    CROSS REFERENCES
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    canSAR2145705
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight492.16
    AlogP6.22
    HBond donors2
    HBond acceptors6
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2145705.