General Information of the Compound
| Compound ID |
CP0902757
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
isobutyl 1-(2-(benzyloxy)-5-chlorobenzyl)-5-methyl-1H-pyrazol-3-ylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26ClN3O3
|
||||||||||||||||||
| Molecular Weight |
427.932
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(NC(=O)OCC(C)C)nn1Cc1cc(Cl)ccc1OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26ClN3O3/c1-16(2)14-30-23(28)25-22-11-17(3)27(26-22)13-19-12-20(24)9-10-21(19)29-15-18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3,(H,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FUOTYLXOGMRCOF-UHFFFAOYSA-N
|
||||||||||||||||||
| 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