General Information of the Compound
| Compound ID |
CP0437721
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-4-(methyloxy)pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18F2N4O
|
||||||||||||||||||
| Molecular Weight |
380.398
|
||||||||||||||||||
| Canonical SMILES |
COc1ccnc(c1)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18F2N4O/c1-13-21(14-3-6-16(22)7-4-14,15-5-8-19(23)25-12-15)27-20(26-13)18-11-17(28-2)9-10-24-18/h3-13H,1-2H3,(H,26,27)/t13-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WLYGSDPNZQUPGJ-ZSEKCTLFSA-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: PT01795, Neuropeptide Y receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2