General Information of the Compound
| Compound ID |
CP0438619
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-({4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butyl}-prop-2-ynyl-amino)-5,6,7,8-tetrahydro-naphthalen-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
486.487
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc2CCC(Cc2c1)N(CCCCN1CCN(CC1)c1cccc(Cl)c1Cl)CC#C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33Cl2N3O/c1-2-12-31(23-10-8-21-9-11-24(33)20-22(21)19-23)14-4-3-13-30-15-17-32(18-16-30)26-7-5-6-25(28)27(26)29/h1,5-7,9,11,20,23,33H,3-4,8,10,12-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PIHOPECZMJBZBU-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