General Information of the Compound
| Compound ID |
CP0463299
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2S)-1-[4-(4-chlorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18ClNO3
|
||||||||||||||||||
| Molecular Weight |
331.799
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18ClNO3/c19-13-3-7-16(8-4-13)23-17-9-5-14(6-10-17)20-11-1-2-15(20)12-18(21)22/h3-10,15H,1-2,11-12H2,(H,21,22)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIYXCKLGOJYSNA-HNNXBMFYSA-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