General Information of the Compound
| Compound ID |
CP0449512
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| Compound Name |
3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine
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| Structure |
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| Formula |
C14H11Cl2N5
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| Molecular Weight |
320.183
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| Canonical SMILES |
Cc1ncccc1Cn1nnnc1-c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C14H11Cl2N5/c1-9-10(4-3-7-17-9)8-21-14(18-19-20-21)11-5-2-6-12(15)13(11)16/h2-7H,8H2,1H3
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| InChIKey |
UYHSACNMUUOJFJ-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