General Information of the Compound
| Compound ID |
CP0466483
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| Compound Name |
US8980938, 8
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| Structure |
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| Formula |
C22H23NO4S
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| Molecular Weight |
397.496
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| Canonical SMILES |
CC(C)(NC(=O)c1ccc2ccsc2c1OCCCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C22H23NO4S/c1-22(2,21(25)26)23-20(24)17-11-10-16-12-14-28-19(16)18(17)27-13-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-12,14H,6,9,13H2,1-2H3,(H,23,24)(H,25,26)
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| InChIKey |
FZZJWKALYVWTDH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound