General Information of the Compound
| Compound ID |
CP0427933
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butane-1,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29ClN2O2
|
||||||||||||||||||
| Molecular Weight |
424.972
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)C1CCN(CC1)C(=O)CCC(=O)c1ccc2CCNCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29ClN2O2/c26-23-5-3-18(4-6-23)20-11-15-28(16-12-20)25(30)8-7-24(29)22-2-1-19-9-13-27-14-10-21(19)17-22/h1-6,17,20,27H,7-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BDPAOYXGJJVLCG-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