General Information of the Compound
| Compound ID |
CP0877698
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| Compound Name |
isopropyl 1-(5-chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-ylcarbamate
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| Structure |
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| Formula |
C19H26ClN3O3
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| Molecular Weight |
379.888
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| Canonical SMILES |
Cc1cc(NC(=O)OC(C)C)nn1Cc1cc(Cl)ccc1OCC(C)C
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| InChI |
InChI=1S/C19H26ClN3O3/c1-12(2)11-25-17-7-6-16(20)9-15(17)10-23-14(5)8-18(22-23)21-19(24)26-13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H,21,22,24)
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| InChIKey |
KTAQXSOIUMZMTA-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