General Information of the Compound
| Compound ID |
CP0428279
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-chloro-11-[4-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-piperazin-1-yl]-5H-dibenzo[b,e][1,4]diazepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25ClN4O2
|
||||||||||||||||||
| Molecular Weight |
460.965
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(Cc2ccc3OCCOc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25ClN4O2/c27-19-6-7-22-23(16-19)29-26(20-3-1-2-4-21(20)28-22)31-11-9-30(10-12-31)17-18-5-8-24-25(15-18)33-14-13-32-24/h1-8,15-16,28H,9-14,17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YNYGWSSJOCRJGL-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
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor