General Information of the Compound
| Compound ID |
CP0435007
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-fluorophenyl)methyl (5R)-5-(2-chloro-4-cyanophenyl)-6,7-dihydropyrrolo[1,2-c]imidazole-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15ClFN3O2
|
||||||||||||||||||
| Molecular Weight |
395.821
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(COC(=O)[C@@]2(CCc3cncn23)c2ccc(cc2Cl)C#N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15ClFN3O2/c22-19-9-15(10-24)3-6-18(19)21(8-7-17-11-25-13-26(17)21)20(27)28-12-14-1-4-16(23)5-2-14/h1-6,9,11,13H,7-8,12H2/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYWLZZYEVYDWMN-OAQYLSRUSA-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