General Information of the Compound
| Compound ID |
CP0439769
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| Compound Name |
3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine
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| Structure |
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| Formula |
C14H9ClF3N5
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| Molecular Weight |
339.708
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| Canonical SMILES |
FC(F)(F)c1cccc(c1Cl)-n1nnnc1Cc1cccnc1
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| InChI |
InChI=1S/C14H9ClF3N5/c15-13-10(14(16,17)18)4-1-5-11(13)23-12(20-21-22-23)7-9-3-2-6-19-8-9/h1-6,8H,7H2
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| InChIKey |
FFRBXZXABYMLJL-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
Protein ID: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7