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canSAR1442258
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NAMES
    SMILES
    N#CCCn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(-c2ccc(-c3ccccc3)cc2)n1
    InChI
    InChI=1S/C28H21N5OS/c29-16-7-17-32-19-23(18-25-27(34)33(28(35)30-25)24-10-5-2-6-11-24)26(31-32)22-14-12-21(13-15-22)20-8-3-1-4-9-20/h1-6,8-15,18-19H,7,17H2,(H,30,35)/b25-18-
    MOLECULAR FORMULA
    C28H21N5OS
    CROSS REFERENCES
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    canSAR1442258

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.15
    AlogP 5.39
    HBond donors 1
    HBond acceptors 6
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1442258.