General Information of the Compound
| Compound ID |
CP0547232
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.5]dec-1-en-3-ylmethyl)-biphenyl-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N2O3
|
||||||||||||||||||
| Molecular Weight |
418.537
|
||||||||||||||||||
| Canonical SMILES |
CCCCC1=NC2(CCCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N2O3/c1-2-3-11-23-27-26(16-7-4-8-17-26)25(31)28(23)18-19-12-14-20(15-13-19)21-9-5-6-10-22(21)24(29)30/h5-6,9-10,12-15H,2-4,7-8,11,16-18H2,1H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFRBWXHTGUQKIS-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
Protein ID: PT05756, Leukotriene B4 receptor 2
Protein ID: PT01197, Type-1 angiotensin II receptor