General Information of the Compound
| Compound ID |
CP0471892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2S,4S)-4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25NO2
|
||||||||||||||||||
| Molecular Weight |
323.436
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1C[C@@H](CC(O)=O)N(C1)c1ccc(Cc2ccccc2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25NO2/c1-15-11-20(13-21(23)24)22(14-15)19-9-7-17(8-10-19)12-18-6-4-3-5-16(18)2/h3-10,15,20H,11-14H2,1-2H3,(H,23,24)/t15-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SGMHLZJDGGDXDG-YWZLYKJASA-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: PT02793, Free fatty acid receptor 1
Protein ID: PT04613, Free fatty acid receptor 1