General Information of the Compound
| Compound ID |
CP0049278
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| Compound Name |
N-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C12H9ClN6O
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| Molecular Weight |
288.698
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| Canonical SMILES |
Clc1ccc(NC(=O)c2cc(n[nH]2)-n2cnnc2)cc1
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| InChI |
InChI=1S/C12H9ClN6O/c13-8-1-3-9(4-2-8)16-12(20)10-5-11(18-17-10)19-6-14-15-7-19/h1-7H,(H,16,20)(H,17,18)
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| InChIKey |
SWLSTTGHUUDSMK-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