General Information of the Compound
| Compound ID |
CP0566411
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N-dimethyl-3-[2-[3-(2-naphthalen-1-yloxyethoxy)propyl]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H40N2O2
|
||||||||||||||||||
| Molecular Weight |
508.706
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCOc3cccc4ccccc34)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H40N2O2/c1-35(2)21-9-22-36-32-15-6-4-12-29(32)19-20-30-18-17-27(26-33(30)36)10-8-23-37-24-25-38-34-16-7-13-28-11-3-5-14-31(28)34/h3-7,11-18,26H,8-10,19-25H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QASWBJXKHDJLQH-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