General Information of the Compound
| Compound ID |
CP0457398
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-[6-(3-chlorophenyl)-4-methylpyridin-3-yl]-4-hydroxypyrrolidin-1-yl]-cyclobutylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23ClN2O2
|
||||||||||||||||||
| Molecular Weight |
370.88
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ncc1C1CC(O)CN1C(=O)C1CCC1)-c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23ClN2O2/c1-13-8-19(15-6-3-7-16(22)9-15)23-11-18(13)20-10-17(25)12-24(20)21(26)14-4-2-5-14/h3,6-9,11,14,17,20,25H,2,4-5,10,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SSFZWHHWBFSYKR-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