General Information of the Compound
| Compound ID |
CP0436324
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16F3N3O2
|
||||||||||||||||||
| Molecular Weight |
363.339
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[nH]cc(CCNC(=O)c3ccc(nc3)C(F)(F)F)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16F3N3O2/c1-26-13-3-4-15-14(8-13)11(9-23-15)6-7-22-17(25)12-2-5-16(24-10-12)18(19,20)21/h2-5,8-10,23H,6-7H2,1H3,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZILLIFSXFWUNA-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