General Information of the Compound
| Compound ID |
CP0133642
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| Compound Name |
N-(2,4-dichlorophenyl)-2H-triazole-4-carboxamide
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| Structure |
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| Formula |
C9H6Cl2N4O
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| Molecular Weight |
257.08
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| Canonical SMILES |
Clc1ccc(NC(=O)c2cn[nH]n2)c(Cl)c1
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| InChI |
InChI=1S/C9H6Cl2N4O/c10-5-1-2-7(6(11)3-5)13-9(16)8-4-12-15-14-8/h1-4H,(H,13,16)(H,12,14,15)
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| InChIKey |
GAGGCNZJYKWGJL-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: PT01052, Polyunsaturated fatty acid lipoxygenase ALOX15
Protein ID: PT03922, Polyunsaturated fatty acid lipoxygenase ALOX15
Protein ID: PT06251, Polyunsaturated fatty acid lipoxygenase ALOX15