General Information of the Compound
| Compound ID |
CP0470270
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| Compound Name |
2-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C16H14Cl2N4
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| Molecular Weight |
333.222
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| Canonical SMILES |
Cc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C16H14Cl2N4/c1-11-5-2-3-6-12(11)9-19-16-20-10-21-22(16)14-8-4-7-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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| InChIKey |
YTVHKELEXNLTAN-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