General Information of the Compound
| Compound ID |
CP0578088
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H19ClF3N3O2
|
||||||||||||||||||
| Molecular Weight |
509.915
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(Cc2cc(=O)[nH]c3ccc(cc23)C(c2ccc(Cl)cc2)n2ccnc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H19ClF3N3O2/c28-21-6-3-18(4-7-21)26(34-12-11-32-16-34)19-5-10-24-23(14-19)20(15-25(35)33-24)13-17-1-8-22(9-2-17)36-27(29,30)31/h1-12,14-16,26H,13H2,(H,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GJJMYDAKDWBXNH-UHFFFAOYSA-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