General Information of the Compound
| Compound ID |
CP0957120
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(benzyloxy)-5-bromobenzyl)-1H-pyrazole-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15BrN2O3
|
||||||||||||||||||
| Molecular Weight |
387.233
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)c1ccnn1Cc1cc(Br)ccc1OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15BrN2O3/c19-15-6-7-17(24-12-13-4-2-1-3-5-13)14(10-15)11-21-16(18(22)23)8-9-20-21/h1-10H,11-12H2,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OLYFTVHLRHYLCV-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