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canSAR1591123
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NAMES
    SMILES
    COc1ccc(OCc2nnc3n2N=C(c2ccccc2)C(CC(=O)O)S3)cc1
    InChI
    InChI=1S/C20H18N4O4S/c1-27-14-7-9-15(10-8-14)28-12-17-21-22-20-24(17)23-19(13-5-3-2-4-6-13)16(29-20)11-18(25)26/h2-10,16H,11-12H2,1H3,(H,25,26)
    MOLECULAR FORMULA
    C20H18N4O4S
    CROSS REFERENCES
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    canSAR1591123

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.10
    AlogP 3.07
    HBond donors 1
    HBond acceptors 8
    Atoms 47
    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 canSAR1591123.