General Information of the Compound
| Compound ID |
CP0040250
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
Show/Hide
|
||||||||||||||||||
| Synonyms |
111974-69-7
2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol
2-{[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethyl]oxy}ethanol
BGL0JSY5SI
C21H25N3O2S
CHEBI:8707
CHEMBL716
Co-Quetiapine
Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-
Ketipinor (TN)
NCGC00095911-03
Norsic
Norsic (TN)
PD-172760
Quetiapina
Quetiapine
Quetiapine (INN)
Quetiapine [INN:BAN]
Quetiapine hemifumarate
Quetiapinum
Seroquel (Fumarate)
Seroquel (TN)
UNII-BGL0JSY5SI
URKOMYMAXPYINW-UHFFFAOYSA-N
quetiapine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N3O2S
|
||||||||||||||||||
| Molecular Weight |
383.517
|
||||||||||||||||||
| Canonical SMILES |
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
URKOMYMAXPYINW-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
111974-69-7
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| DrugBank 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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT06109, Geminin
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Clinical Information about the Compound