General Information of the Compound
| Compound ID |
CP0475024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]naphthalene-1-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
480.033
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26ClN3O2S/c27-21-9-10-25-23(17-21)24(18-28-25)20-11-15-30(16-12-20)14-4-13-29-33(31,32)26-8-3-6-19-5-1-2-7-22(19)26/h1-3,5-11,17-18,28-29H,4,12-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBVJYSIRBVCCNU-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00871, Sodium-dependent serotonin transporter