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canSAR2093498
FEATURES
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NAMES
    SMILES
    COc1cccc(-c2ccc(CN([C@H](C)C(=O)N[C@H](C#N)CC(N)=O)S(C)(=O)=O)cc2)c1
    InChI
    InChI=1S/C22H26N4O5S/c1-15(22(28)25-19(13-23)12-21(24)27)26(32(3,29)30)14-16-7-9-17(10-8-16)18-5-4-6-20(11-18)31-2/h4-11,15,19H,12,14H2,1-3H3,(H2,24,27)(H,25,28)/t15-,19+/m1/s1
    MOLECULAR FORMULA
    C22H26N4O5S
    CROSS REFERENCES
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    canSAR2093498

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.16
    AlogP 1.40
    HBond donors 3
    HBond acceptors 9
    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 canSAR2093498.