General Information of the Compound
| Compound ID |
CP0542353
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-2-(((1R,5S)-6-((5-(trifluoromethyl)pyridin-2-yloxy)methyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)-1H-benzo[d]imidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F3N4O
|
||||||||||||||||||
| Molecular Weight |
402.42
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(CN2C[C@H]3C(COc4ccc(cn4)C(F)(F)F)[C@H]3C2)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F3N4O/c1-27-18-5-3-2-4-17(18)26-19(27)11-28-9-14-15(10-28)16(14)12-29-20-7-6-13(8-25-20)21(22,23)24/h2-8,14-16H,9-12H2,1H3/t14-,15+,16?
Show/Hide
|
||||||||||||||||||
| InChIKey |
DTMCLRWXKBKQIR-XYPWUTKMSA-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