General Information of the Compound
| Compound ID |
CP0422947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(3-methyl-1,2-thiazol-5-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16F2N4O3S
|
||||||||||||||||||
| Molecular Weight |
382.392
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2cc(C)ns2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16F2N4O3S/c1-7-3-12(26-22-7)20-16(24)21-14-9(6-19-15(14)23)13-10(17)4-8(25-2)5-11(13)18/h3-5,9,14H,6H2,1-2H3,(H,19,23)(H2,20,21,24)/t9-,14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GAZSEJCQFCSQBB-XPTSAGLGSA-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