General Information of the Compound
| Compound ID |
CP0099657
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R,E)-2-amino-4-(3-(2-cyclopropyl-1-fluorovinyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20F3N3O2
|
||||||||||||||||||
| Molecular Weight |
415.415
|
||||||||||||||||||
| Canonical SMILES |
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(\F)=C/C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20F3N3O2/c1-28-19(29)22(27-21(28)26,15-7-9-17(10-8-15)30-20(24)25)16-4-2-3-14(12-16)18(23)11-13-5-6-13/h2-4,7-13,20H,5-6H2,1H3,(H2,26,27)/b18-11+/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SQRMALBFLFFPQZ-OJHVLRHSSA-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