General Information of the Compound
| Compound ID |
CP0373906
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-{2-[(7-hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-ethyl}-piperazin-1-yl)-(1H-indol-5-yl)-methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36N4O2
|
||||||||||||||||||
| Molecular Weight |
460.622
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)C1CCc2ccc(O)cc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36N4O2/c1-2-11-31(25-6-3-21-4-7-26(33)20-24(21)19-25)15-12-30-13-16-32(17-14-30)28(34)23-5-8-27-22(18-23)9-10-29-27/h4-5,7-10,18,20,25,29,33H,2-3,6,11-17,19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPYXPLTZRLPUAS-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor