General Information of the Compound
| Compound ID |
CP0415798
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| Compound Name |
3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-4-(2-methoxyethoxy)phenyl]propyl N-pentylsulfonylcarbamate
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| Structure |
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| Formula |
C24H30ClF3N2O7S
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| Molecular Weight |
583.025
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)OCCCc1ccc(OCCOC)cc1Oc1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C24H30ClF3N2O7S/c1-3-4-5-13-38(32,33)30-23(31)36-10-6-7-17-8-9-19(35-12-11-34-2)15-21(17)37-22-20(25)14-18(16-29-22)24(26,27)28/h8-9,14-16H,3-7,10-13H2,1-2H3,(H,30,31)
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| InChIKey |
BTRCLXPPTYOVBL-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