General Information of the Compound
| Compound ID |
CP0942335
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| Compound Name |
N-(1-(5-chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl)cyclopentanecarboxamide
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| Structure |
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| Formula |
C21H28ClN3O2
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| Molecular Weight |
389.927
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| Canonical SMILES |
Cc1cc(NC(=O)C2CCCC2)nn1Cc1cc(Cl)ccc1OCC(C)C
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| InChI |
InChI=1S/C21H28ClN3O2/c1-14(2)13-27-19-9-8-18(22)11-17(19)12-25-15(3)10-20(24-25)23-21(26)16-6-4-5-7-16/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,23,24,26)
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| InChIKey |
ZYQPDPAVWPYQQF-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