General Information of the Compound
| Compound ID |
CP0464547
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-iodopyridin-2-yl)piperazin-1-yl)-6-(trifluoromethyl)-1H-benzo[d]imidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15F3IN5
|
||||||||||||||||||
| Molecular Weight |
473.24
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc2nc([nH]c2c1)N1CCN(CC1)c1ncccc1I
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15F3IN5/c18-17(19,20)11-3-4-13-14(10-11)24-16(23-13)26-8-6-25(7-9-26)15-12(21)2-1-5-22-15/h1-5,10H,6-9H2,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZVJLLKQCENKWAU-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