General Information of the Compound
| Compound ID |
CP0289055
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29FN4O3
|
||||||||||||||||||
| Molecular Weight |
488.563
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29FN4O3/c1-35-28(34)20-12-16-32(17-13-20)15-4-18-36-23-9-7-22(8-10-23)33-26-11-6-21(29)19-25(26)31-27(33)24-5-2-3-14-30-24/h2-3,5-11,14,19-20H,4,12-13,15-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RMQURPVWFQWESL-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