canSAR2149881
FEATURES
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NAMES
    SMILES
    O=C(Nc1ccc(O)c2ccccc12)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
    InChI
    InChI=1S/C31H22N4O2S/c36-29-17-16-26(22-8-1-2-9-23(22)29)33-31(37)25-10-3-4-11-30(25)38-21-13-14-24-27(34-35-28(24)19-21)15-12-20-7-5-6-18-32-20/h1-19,36H,(H,33,37)(H,34,35)/b15-12+
    MOLECULAR FORMULA
    C31H22N4O2S
    CROSS REFERENCES
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    canSAR2149881
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight514.15
    AlogP7.39
    HBond donors3
    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 canSAR2149881.