General Information of the Compound
| Compound ID |
CP0085563
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| Compound Name |
4-(2-chlorophenyl)-3-(4,5-dihydrothieno[3,2-d][1]benzoxepin-2-yl)-1H-1,2,4-triazol-5-one
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| Structure |
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| Formula |
C20H14ClN3O2S
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| Molecular Weight |
395.871
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| Canonical SMILES |
Clc1ccccc1-n1c(n[nH]c1=O)-c1cc2CCOc3ccccc3-c2s1
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| InChI |
InChI=1S/C20H14ClN3O2S/c21-14-6-2-3-7-15(14)24-19(22-23-20(24)25)17-11-12-9-10-26-16-8-4-1-5-13(16)18(12)27-17/h1-8,11H,9-10H2,(H,23,25)
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| InChIKey |
VLELMFMUCAYCRP-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