General Information of the Compound
| Compound ID |
CP0502257
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(5S)-5-Ethyl-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinecarbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18F2N4
|
||||||||||||||||||
| Molecular Weight |
388.421
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18F2N4/c1-2-21-23(16-3-7-18(24)8-4-16,17-5-9-19(25)10-6-17)29-22(28-21)20-13-15(14-26)11-12-27-20/h3-13,21H,2H2,1H3,(H,28,29)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OEMCDHMYVREMSY-NRFANRHFSA-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