General Information of the Compound
| Compound ID |
CP0378515
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-((3-cyclohexyl-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-4-yl)methyl)benzamido)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28F3N3O4
|
||||||||||||||||||
| Molecular Weight |
515.532
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(Cc2cn(nc2C2CCCCC2)-c2ccc(OC(F)(F)F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28F3N3O4/c28-27(29,30)37-23-12-10-22(11-13-23)33-17-21(25(32-33)19-4-2-1-3-5-19)16-18-6-8-20(9-7-18)26(36)31-15-14-24(34)35/h6-13,17,19H,1-5,14-16H2,(H,31,36)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RGEIPFNQDIMRPC-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: PT02242, Gastric inhibitory polypeptide receptor
Protein ID: PT01473, Glucagon receptor