General Information of the Compound
| Compound ID |
CP0430131
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-acetyl-N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34N4O8S
|
||||||||||||||||||
| Molecular Weight |
586.667
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(C)=O)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N4O8S/c1-18(33)19-7-9-20(10-8-19)41(37,38)31-22-16-21(24(39-2)17-25(22)40-3)23(34)6-4-5-13-32-14-11-28(12-15-32)26(35)29-27(36)30-28/h7-10,16-17,31H,4-6,11-15H2,1-3H3,(H2,29,30,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BUAUHIXXHNVYEQ-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C