General Information of the Compound
| Compound ID |
CP0467080
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-N-[3-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-4-methoxyphenyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29ClN4O6S
|
||||||||||||||||||
| Molecular Weight |
549.049
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29ClN4O6S/c1-36-22-10-7-18(29-37(34,35)19-8-5-17(26)6-9-19)16-20(22)21(31)4-2-3-13-30-14-11-25(12-15-30)23(32)27-24(33)28-25/h5-10,16,29H,2-4,11-15H2,1H3,(H2,27,28,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DTGMIMFTXAKEOP-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C