General Information of the Compound
| Compound ID |
CP0555979
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3S,4R)-4-(4-cyano-2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H13F3N4O2
|
||||||||||||||||||
| Molecular Weight |
374.322
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)N[C@H]2[C@@H](CNC2=O)c2c(F)cc(cc2F)C#N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H13F3N4O2/c19-10-1-3-11(4-2-10)24-18(27)25-16-12(8-23-17(16)26)15-13(20)5-9(7-22)6-14(15)21/h1-6,12,16H,8H2,(H,23,26)(H2,24,25,27)/t12-,16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDWUCQWQZAOUBU-LRDDRELGSA-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