General Information of the Compound
| Compound ID |
CP0476845
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| Compound Name |
2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile
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| Structure |
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| Formula |
C15H10Cl2N6
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| Molecular Weight |
345.193
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| Canonical SMILES |
Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1C#N
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| InChI |
InChI=1S/C15H10Cl2N6/c16-12-6-3-7-13(14(12)17)23-15(20-21-22-23)19-9-11-5-2-1-4-10(11)8-18/h1-7H,9H2,(H,19,20,22)
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| InChIKey |
PMYRZDKDSIHDIU-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