General Information of the Compound
| Compound ID |
CP0485567
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,4-dichloroanilino)-6-[3-(4-methoxypiperidin-1-yl)propyl]-8,9-dihydro-7H-pyrido[4,3-c]azepin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
477.436
|
||||||||||||||||||
| Canonical SMILES |
COC1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30Cl2N4O2/c1-32-18-8-14-29(15-9-18)11-3-13-30-12-2-4-19-20(24(30)31)7-10-27-23(19)28-17-5-6-21(25)22(26)16-17/h5-7,10,16,18H,2-4,8-9,11-15H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BLJWZJULXYSJLQ-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