General Information of the Compound
| Compound ID |
CP0205608
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| Compound Name |
2-(2-cyclobutyl-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 |
C19H18N4O2S
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| Molecular Weight |
366.446
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| Canonical SMILES |
NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ncnn1C1CCC1
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| InChI |
InChI=1S/C19H18N4O2S/c20-18(24)12-4-5-14-15(8-12)25-7-6-11-9-16(26-17(11)14)19-21-10-22-23(19)13-2-1-3-13/h4-5,8-10,13H,1-3,6-7H2,(H2,20,24)
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| InChIKey |
UOVIUUFDXQXCAS-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