General Information of the Compound
| Compound ID |
CP0532356
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| Compound Name |
3-[[5-[2-fluoro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine
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| Structure |
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| Formula |
C14H9F4N5
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| Molecular Weight |
323.253
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| Canonical SMILES |
Fc1c(cccc1C(F)(F)F)-c1nnnn1Cc1cccnc1
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| InChI |
InChI=1S/C14H9F4N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2
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| InChIKey |
ZAXJPUCTNCZGQN-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