General Information of the Compound
| Compound ID |
CP0391034
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-{8-chloro-11-[4-(2-ethyl-butyl)-piperazin-1-yl]-dibenzo[b,e][1,4]diazepin-5-yl}-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33Cl2N5O
|
||||||||||||||||||
| Molecular Weight |
550.534
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33Cl2N5O/c1-3-21(4-2)20-35-15-17-36(18-16-35)29-24-10-6-8-12-27(24)37(28-14-13-22(31)19-26(28)33-29)34-30(38)23-9-5-7-11-25(23)32/h5-14,19,21H,3-4,15-18,20H2,1-2H3,(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXZIYWHPJYKWLZ-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