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canSAR1132531
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NAMES
    SMILES
    CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(-c3ccc(C#N)cc3)ncn2c1
    InChI
    InChI=1S/C28H23N5OS/c1-28(2,26(34)32-27-30-14-15-35-27)24(20-6-4-3-5-7-20)22-12-13-23-25(31-18-33(23)17-22)21-10-8-19(16-29)9-11-21/h3-15,17-18,24H,1-2H3,(H,30,32,34)
    MOLECULAR FORMULA
    C28H23N5OS
    CROSS REFERENCES
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    canSAR1132531

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.16
    AlogP 6.13
    HBond donors 1
    HBond acceptors 6
    Atoms 58
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1132531.