General Information of the Compound
| Compound ID |
CP0455095
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| Compound Name |
3-[[1-(2,3-dichloro-4-fluorophenyl)tetrazol-5-yl]methyl]pyridine
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| Structure |
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| Formula |
C13H8Cl2FN5
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| Molecular Weight |
324.146
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| Canonical SMILES |
Fc1ccc(c(Cl)c1Cl)-n1nnnc1Cc1cccnc1
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| InChI |
InChI=1S/C13H8Cl2FN5/c14-12-9(16)3-4-10(13(12)15)21-11(18-19-20-21)6-8-2-1-5-17-7-8/h1-5,7H,6H2
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| InChIKey |
GOZARPWHWVECGP-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