General Information of the Compound
| Compound ID |
CP0784948
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium 1-(2-(benzyloxy)-5-chlorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16ClN2NaO3
|
||||||||||||||||||
| Molecular Weight |
378.791
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C(=O)[O-])nn1Cc1cc(Cl)ccc1OCc1ccccc1.[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClN2O3.Na/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14;/h2-10H,11-12H2,1H3,(H,23,24);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQHZQHUSIZKWBO-UHFFFAOYSA-M
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound