General Information of the Compound
| Compound ID |
CP0397594
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-methyl-N-[6-[(6-methylpyridin-2-yl)methoxy]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21F3N4O2
|
||||||||||||||||||
| Molecular Weight |
442.441
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(COc2ccc(NC(=O)N3CCc4cc(C)c(cc34)C(F)(F)F)cn2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21F3N4O2/c1-14-10-16-8-9-30(20(16)11-19(14)23(24,25)26)22(31)29-17-6-7-21(27-12-17)32-13-18-5-3-4-15(2)28-18/h3-7,10-12H,8-9,13H2,1-2H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZWUGPYFBRWYLBW-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