General Information of the Compound
| Compound ID |
CP0546765
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,4-dichloroanilino)-6-[3-(4-phenylpiperidin-1-yl)propyl]-8,9-dihydro-7H-pyrido[4,3-c]azepin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
523.508
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(Nc2nccc3c2CCCN(CCCN2CCC(CC2)c2ccccc2)C3=O)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32Cl2N4O/c30-26-10-9-23(20-27(26)31)33-28-24-8-4-16-35(29(36)25(24)11-14-32-28)17-5-15-34-18-12-22(13-19-34)21-6-2-1-3-7-21/h1-3,6-7,9-11,14,20,22H,4-5,8,12-13,15-19H2,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GUZDZVNAFUKTGG-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