General Information of the Compound
| Compound ID |
CP0185921
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3,4-dichloro-N-(2-methoxyethyl)anilino]-1-[2-(morpholin-4-ylmethyl)-3-phenylpiperidin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
520.501
|
||||||||||||||||||
| Canonical SMILES |
COCCN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35Cl2N3O3/c1-34-15-14-31(22-9-10-24(28)25(29)18-22)20-27(33)32-11-5-8-23(21-6-3-2-4-7-21)26(32)19-30-12-16-35-17-13-30/h2-4,6-7,9-10,18,23,26H,5,8,11-17,19-20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VAPFYVRZDCWUAW-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