General Information of the Compound
| Compound ID |
CP0376178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3,8-dichloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-iodobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22Cl2IN5O
|
||||||||||||||||||
| Molecular Weight |
606.295
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2I)c2ccc(Cl)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22Cl2IN5O/c1-31-10-12-32(13-11-31)24-19-14-16(26)6-8-22(19)33(23-9-7-17(27)15-21(23)29-24)30-25(34)18-4-2-3-5-20(18)28/h2-9,14-15H,10-13H2,1H3,(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZZWDJMFTYZXCL-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