General Information of the Compound
| Compound ID |
CP0477470
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-[6-(3-chlorophenyl)-4-methoxypyridin-3-yl]pyrrolidin-1-yl]-cyclobutylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23ClN2O2
|
||||||||||||||||||
| Molecular Weight |
370.88
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23ClN2O2/c1-26-20-12-18(15-7-3-8-16(22)11-15)23-13-17(20)19-9-4-10-24(19)21(25)14-5-2-6-14/h3,7-8,11-14,19H,2,4-6,9-10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGGMLWQJUHYNLK-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