General Information of the Compound
| Compound ID |
CP0407494
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| Compound Name |
4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
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| Structure |
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| Formula |
C13H11NO2S
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| Molecular Weight |
245.303
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| Canonical SMILES |
NC(=O)c1cc2CCOc3ccccc3-c2s1
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| InChI |
InChI=1S/C13H11NO2S/c14-13(15)11-7-8-5-6-16-10-4-2-1-3-9(10)12(8)17-11/h1-4,7H,5-6H2,(H2,14,15)
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| InChIKey |
ZQEQNHSWBRCISB-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
Protein ID: PT06380, Palmitoleoyl-protein carboxylesterase NOTUM
Protein ID: PT05574, Palmitoleoyl-protein carboxylesterase NOTUM