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canSAR1532995
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NAMES
    SMILES
    N#Cc1ccccc1Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2sccc21
    InChI
    InChI=1S/C27H20N4O4S/c28-14-20-4-1-2-5-21(20)17-30-23-11-13-36-24(23)26(33)31(27(30)34)16-18-7-9-19(10-8-18)25(32)29-15-22-6-3-12-35-22/h1-13H,15-17H2,(H,29,32)
    MOLECULAR FORMULA
    C27H20N4O4S
    CROSS REFERENCES
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    canSAR1532995

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.12
    AlogP 3.72
    HBond donors 1
    HBond acceptors 8
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1532995.