General Information of the Compound
| Compound ID |
CP0408518
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-[[2-(4-bromophenoxy)acetyl]amino]-1-(2-phenylethyl)pyrazole-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20BrN3O4
|
||||||||||||||||||
| Molecular Weight |
458.312
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1nn(CCc2ccccc2)cc1NC(=O)COc1ccc(Br)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20BrN3O4/c1-28-21(27)20-18(13-25(24-20)12-11-15-5-3-2-4-6-15)23-19(26)14-29-17-9-7-16(22)8-10-17/h2-10,13H,11-12,14H2,1H3,(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VROWGQBAYJBQSL-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