General Information of the Compound
| Compound ID |
CP0422943
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3S,4R)-4-(4-ethyl-2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18F3N3O2
|
||||||||||||||||||
| Molecular Weight |
377.366
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18F3N3O2/c1-2-10-7-14(21)16(15(22)8-10)13-9-23-18(26)17(13)25-19(27)24-12-5-3-11(20)4-6-12/h3-8,13,17H,2,9H2,1H3,(H,23,26)(H2,24,25,27)/t13-,17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GHWMVXHLEAWLMB-GUYCJALGSA-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: PT02015, fMet-Leu-Phe receptor
Protein ID: PT02590, N-formyl peptide receptor 2