General Information of the Compound
| Compound ID |
CP0421303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20ClN5
|
||||||||||||||||||
| Molecular Weight |
341.846
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(N)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20ClN5/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-16(14)24(20)17-7-6-13(19)12-15(17)21-18/h2-7,12H,8-11,20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KAGSOBJQFAROBR-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