General Information of the Compound
| Compound ID |
CP0515218
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N3O2
|
||||||||||||||||||
| Molecular Weight |
379.504
|
||||||||||||||||||
| Canonical SMILES |
CCN(C)C(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N3O2/c1-3-25(2)23(27)19-8-10-22(24-16-19)28-21-9-7-17-11-13-26(20-5-4-6-20)14-12-18(17)15-21/h7-10,15-16,20H,3-6,11-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QAGCAOBMUHNBAU-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