General Information of the Compound
| Compound ID |
CP0446361
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| Compound Name |
4-[[(S)-(3-fluoropyridin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C21H13F5N2O4
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| Molecular Weight |
452.335
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F
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| InChI |
InChI=1S/C21H13F5N2O4/c22-14-2-1-9-27-18(14)17(13-7-8-16(15(23)10-13)32-21(24,25)26)28-19(29)11-3-5-12(6-4-11)20(30)31/h1-10,17H,(H,28,29)(H,30,31)/t17-/m0/s1
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| InChIKey |
FXZCBPORQDEBAL-KRWDZBQOSA-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
Protein ID: PT03065, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8