General Information of the Compound
| Compound ID |
CP0375463
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,1-dimethyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H32N4O3S
|
||||||||||||||||||
| Molecular Weight |
420.579
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1cnn(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32N4O3S/c1-17(2)20-7-5-6-8-21(20)28-14-13-25-11-9-18(10-12-25)24(4)29(26,27)19-15-22-23(3)16-19/h5-8,15-18H,9-14H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DENZLVKUHPRTLB-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor