General Information of the Compound
| Compound ID |
CP0453040
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-{8-chloro-11-[4-(2,2-dimethyl-propyl)-piperazin-1-yl]-dibenzo[b,e][1,4]diazepin-5-yl}-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31Cl2N5O
|
||||||||||||||||||
| Molecular Weight |
536.507
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31Cl2N5O/c1-29(2,3)19-34-14-16-35(17-15-34)27-22-9-5-7-11-25(22)36(26-13-12-20(30)18-24(26)32-27)33-28(37)21-8-4-6-10-23(21)31/h4-13,18H,14-17,19H2,1-3H3,(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BCJCHJGSBADBFH-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