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canSAR1427301
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NAMES
    SMILES
    NS(=O)(=O)c1ccc(CCNC(=O)C2CCCN2S(=O)(=O)c2cccc3nsnc23)cc1
    InChI
    InChI=1S/C19H21N5O5S3/c20-31(26,27)14-8-6-13(7-9-14)10-11-21-19(25)16-4-2-12-24(16)32(28,29)17-5-1-3-15-18(17)23-30-22-15/h1,3,5-9,16H,2,4,10-12H2,(H,21,25)(H2,20,26,27)
    MOLECULAR FORMULA
    C19H21N5O5S3
    CROSS REFERENCES
    1427301 logo

    canSAR1427301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.07
    AlogP 0.85
    HBond donors 3
    HBond acceptors 10
    Atoms 53
    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 canSAR1427301.