General Information of the Compound
| Compound ID |
CP0862040
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| Compound Name |
sodium 1-(1-(2-(benzyloxy)-5-chlorophenyl)ethyl)-5-methyl-1H-pyrazole-3-carboxylate
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| Structure |
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| Formula |
C20H18ClN2NaO3
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| Molecular Weight |
392.818
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| Canonical SMILES |
Cc1cc(C(=O)[O-])nn1C(C)c1cc(Cl)ccc1OCc1ccccc1.[Na+]
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| InChI |
InChI=1S/C20H19ClN2O3.Na/c1-13-10-18(20(24)25)22-23(13)14(2)17-11-16(21)8-9-19(17)26-12-15-6-4-3-5-7-15;/h3-11,14H,12H2,1-2H3,(H,24,25);/q;+1/p-1
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| InChIKey |
LZBIBRYIDAARTC-UHFFFAOYSA-M
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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