General Information of the Compound
| Compound ID |
CP0526984
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| Compound Name |
4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine
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| Structure |
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| Formula |
C13H9Cl2N5
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| Molecular Weight |
306.156
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| Canonical SMILES |
Clc1cccc(-c2nnnn2Cc2ccncc2)c1Cl
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| InChI |
InChI=1S/C13H9Cl2N5/c14-11-3-1-2-10(12(11)15)13-17-18-19-20(13)8-9-4-6-16-7-5-9/h1-7H,8H2
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| InChIKey |
KYESEAQRWRXGCA-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