General Information of the Compound
| Compound ID |
CP0415946
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H37N3OS
|
||||||||||||||||||
| Molecular Weight |
523.746
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCCCN1CCN(CC1)c1cc2CCc3ccc(CCc1cc2)cc3)c1cc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H37N3OS/c37-33(32-24-29-5-1-2-6-31(29)38-32)34-17-3-4-18-35-19-21-36(22-20-35)30-23-27-12-11-25-7-9-26(10-8-25)13-15-28(30)16-14-27/h1-2,5-10,14,16,23-24H,3-4,11-13,15,17-22H2,(H,34,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIGILHVUMICSAW-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
Protein ID: PT01161, D(4) dopamine receptor