General Information of the Compound
| Compound ID |
CP0374819
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-{8-chloro-11-[4-(2-fluoro-benzyl)-piperazin-1-yl]-dibenzo[b,e][1,4]diazepin-5-yl}-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H26Cl2FN5O
|
||||||||||||||||||
| Molecular Weight |
574.487
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccccc1CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H26Cl2FN5O/c32-22-13-14-29-27(19-22)35-30(38-17-15-37(16-18-38)20-21-7-1-5-11-26(21)34)24-9-3-6-12-28(24)39(29)36-31(40)23-8-2-4-10-25(23)33/h1-14,19H,15-18,20H2,(H,36,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNTONPVDCMBCJJ-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