General Information of the Compound
| Compound ID |
CP0568311
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(4-fluorophenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21FN4O2
|
||||||||||||||||||
| Molecular Weight |
380.423
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)N[C@H](Cc2ccc(cc2)C#N)C(=O)N2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21FN4O2/c22-17-7-9-18(10-8-17)24-21(28)25-19(20(27)26-11-1-2-12-26)13-15-3-5-16(14-23)6-4-15/h3-10,19H,1-2,11-13H2,(H2,24,25,28)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTYAUVPWXCEUDN-LJQANCHMSA-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 | |||||||||||||||||||
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