General Information of the Compound
| Compound ID |
CP0409618
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31ClN4O7S
|
||||||||||||||||||
| Molecular Weight |
579.075
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31ClN4O7S/c1-37-22-16-23(38-2)20(30-39(35,36)18-8-6-17(27)7-9-18)15-19(22)21(32)5-3-4-12-31-13-10-26(11-14-31)24(33)28-25(34)29-26/h6-9,15-16,30H,3-5,10-14H2,1-2H3,(H2,28,29,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHKRNFAYEQVYLG-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