General Information of the Compound
| Compound ID |
CP0894567
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-(4-Methanesulfonylmethylphenyl)-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylic acid tert-butyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N2O5S
|
||||||||||||||||||
| Molecular Weight |
470.591
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(CS(C)(=O)=O)cc4)ncc3o2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N2O5S/c1-25(2,3)32-24(28)27-11-9-19(10-12-27)22-14-20-13-21(26-15-23(20)31-22)18-7-5-17(6-8-18)16-33(4,29)30/h5-8,13-15,19H,9-12,16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUEMTLSRDHTLIU-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