General Information of the Compound
| Compound ID |
CP0369072
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(11-acetyl-3-chloro-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18ClN3O2
|
||||||||||||||||||
| Molecular Weight |
391.858
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1c2ccc(Cl)cc2CCc2cc(ccc12)-c1cccc(n1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18ClN3O2/c1-13(27)26-20-9-7-14(18-3-2-4-19(25-18)22(24)28)11-15(20)5-6-16-12-17(23)8-10-21(16)26/h2-4,7-12H,5-6H2,1H3,(H2,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQZCKKLCUPMNHN-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