General Information of the Compound
| Compound ID |
CP0476191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-4-pyrimidinecarbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14F2N6
|
||||||||||||||||||
| Molecular Weight |
376.37
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1nccc(n1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14F2N6/c1-12-20(13-2-5-15(21)6-3-13,14-4-7-17(22)25-11-14)28-19(26-12)18-24-9-8-16(10-23)27-18/h2-9,11-12H,1H3,(H,26,28)/t12-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDRBAUSWIPELRB-YUNKPMOVSA-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