General Information of the Compound
| Compound ID |
CP0515217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethylpyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N3O2
|
||||||||||||||||||
| Molecular Weight |
365.477
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3O2/c1-2-23-22(26)21-9-8-20(15-24-21)27-19-7-6-16-10-12-25(18-4-3-5-18)13-11-17(16)14-19/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKLYQVGQKCJXRD-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