General Information of the Compound
| Compound ID |
CP0461656
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3H-benzimidazole-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18F3N5O2
|
||||||||||||||||||
| Molecular Weight |
405.38
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc2nc([nH]c2c1)N1CCN(CC1)c1ncccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18F3N5O2/c1-29-17(28)12-4-5-14-15(11-12)25-18(24-14)27-9-7-26(8-10-27)16-13(19(20,21)22)3-2-6-23-16/h2-6,11H,7-10H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJIQCKAAXSQZSL-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