General Information of the Compound
| Compound ID |
CP0397623
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-methyl-N-[6-(2-pyridin-2-ylethyl)pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21F3N4O
|
||||||||||||||||||
| Molecular Weight |
426.442
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2CCN(C(=O)Nc3ccc(CCc4ccccn4)nc3)c2cc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21F3N4O/c1-15-12-16-9-11-30(21(16)13-20(15)23(24,25)26)22(31)29-19-8-7-18(28-14-19)6-5-17-4-2-3-10-27-17/h2-4,7-8,10,12-14H,5-6,9,11H2,1H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GYQBDPDLTOGCQA-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