General Information of the Compound
| Compound ID |
CP0461366
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| Compound Name |
[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-4-(2-methoxyethoxy)phenyl]methyl N-pentylsulfonylcarbamate
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| Structure |
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| Formula |
C22H26ClF3N2O7S
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| Molecular Weight |
554.971
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)OCc1ccc(OCCOC)cc1Oc1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C22H26ClF3N2O7S/c1-3-4-5-10-36(30,31)28-21(29)34-14-15-6-7-17(33-9-8-32-2)12-19(15)35-20-18(23)11-16(13-27-20)22(24,25)26/h6-7,11-13H,3-5,8-10,14H2,1-2H3,(H,28,29)
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| InChIKey |
TZJOABJLRJSUSA-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