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canSAR1064634
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NAMES
    SMILES
    Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1
    InChI
    InChI=1S/C21H21N3O3S/c1-15-6-2-9-17(14-15)23-21(25)18-10-5-13-24(18)28(26,27)19-11-3-7-16-8-4-12-22-20(16)19/h2-4,6-9,11-12,14,18H,5,10,13H2,1H3,(H,23,25)/t18-/m0/s1
    MOLECULAR FORMULA
    C21H21N3O3S
    CROSS REFERENCES
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    canSAR1064634

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.13
    AlogP 3.34
    HBond donors 1
    HBond acceptors 6
    Atoms 49
    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 canSAR1064634.