General Information of the Compound
| Compound ID |
CP0214220
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| Compound Name |
2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide
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| Structure |
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| Formula |
C17H13F3N4O2S
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| Molecular Weight |
394.378
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| Canonical SMILES |
NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ncnn1CC(F)(F)F
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| InChI |
InChI=1S/C17H13F3N4O2S/c18-17(19,20)7-24-16(22-8-23-24)13-6-9-3-4-26-12-5-10(15(21)25)1-2-11(12)14(9)27-13/h1-2,5-6,8H,3-4,7H2,(H2,21,25)
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| InChIKey |
YUZLYCJCTIGOKS-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