General Information of the Compound
| Compound ID |
CP0882799
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| Compound Name |
ethyl 1-(2-(benzyloxy)-5-chlorobenzyl)-5-methyl-1H-pyrazol-3-ylcarbamate
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| Structure |
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| Formula |
C21H22ClN3O3
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| Molecular Weight |
399.878
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| Canonical SMILES |
CCOC(=O)Nc1cc(C)n(Cc2cc(Cl)ccc2OCc2ccccc2)n1
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| InChI |
InChI=1S/C21H22ClN3O3/c1-3-27-21(26)23-20-11-15(2)25(24-20)13-17-12-18(22)9-10-19(17)28-14-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,23,24,26)
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| InChIKey |
KFCBMVMLRRSEHJ-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