General Information of the Compound
| Compound ID |
CP0449275
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-[2-[2-[2-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethoxy]ethoxy]ethoxy]ethyl]-N-methylpropan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C44H58N4O3
|
||||||||||||||||||
| Molecular Weight |
690.973
|
||||||||||||||||||
| Canonical SMILES |
CN(CCCN1c2ccccc2CCc2ccccc12)CCOCCOCCOCCN(C)CCCN1c2ccccc2CCc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C44H58N4O3/c1-45(25-11-27-47-41-17-7-3-13-37(41)21-22-38-14-4-8-18-42(38)47)29-31-49-33-35-51-36-34-50-32-30-46(2)26-12-28-48-43-19-9-5-15-39(43)23-24-40-16-6-10-20-44(40)48/h3-10,13-20H,11-12,21-36H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBXPRLQSRAEESY-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