General Information of the Compound
| Compound ID |
CP0199722
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-methoxy-N-(4-pyridin-4-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18F3N3O2
|
||||||||||||||||||
| Molecular Weight |
413.399
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(C(=O)Nc3ccc(cc3)-c3ccncc3)c2cc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18F3N3O2/c1-30-20-12-16-8-11-28(19(16)13-18(20)22(23,24)25)21(29)27-17-4-2-14(3-5-17)15-6-9-26-10-7-15/h2-7,9-10,12-13H,8,11H2,1H3,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQGJURWSBLKGJD-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