General Information of the Compound
| Compound ID |
CP0392187
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-cyano-5-(2-fluoro-4-hydroxyphenyl)pyrrol-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H9FN2O3
|
||||||||||||||||||
| Molecular Weight |
260.224
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cn1c(ccc1-c1ccc(O)cc1F)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H9FN2O3/c14-11-5-9(17)2-3-10(11)12-4-1-8(6-15)16(12)7-13(18)19/h1-5,17H,7H2,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OYBFAFSIYZFWMZ-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