General Information of the Compound
| Compound ID |
CP0926441
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| Compound Name |
1-(5-chloro-2-isobutoxybenzyl)-5-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C21H29ClN4O2
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| Molecular Weight |
404.942
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| Canonical SMILES |
Cc1cc(C(=O)NN2CCCCC2)nn1Cc1cc(Cl)ccc1OCC(C)C
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| InChI |
InChI=1S/C21H29ClN4O2/c1-15(2)14-28-20-8-7-18(22)12-17(20)13-26-16(3)11-19(23-26)21(27)24-25-9-5-4-6-10-25/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,24,27)
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| InChIKey |
NJTGRADPSAWKQE-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