General Information of the Compound
| Compound ID |
CP0471200
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]butyl]naphthalene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H34ClN3O
|
||||||||||||||||||
| Molecular Weight |
536.119
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2c(CCc3cccnc3C2=C2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H34ClN3O/c35-30-13-14-31-28(23-30)11-10-26-8-5-18-36-33(26)32(31)25-15-20-38(21-16-25)19-4-3-17-37-34(39)29-12-9-24-6-1-2-7-27(24)22-29/h1-2,5-9,12-14,18,22-23H,3-4,10-11,15-17,19-21H2,(H,37,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZDDZCFWJYDZNBA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor