General Information of the Compound
| Compound ID |
CP0904312
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-Methoxyphenyl)-N,1-dimethyl-N-(6-(trifluoromethyl)pyridin-3-yl)-1H-1,2,3-triazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16F3N5O2
|
||||||||||||||||||
| Molecular Weight |
391.353
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(-c2nnn(C)c2C(=O)N(C)c2ccc(C(F)(F)F)nc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16F3N5O2/c1-25(12-7-8-14(22-10-12)18(19,20)21)17(27)16-15(23-24-26(16)2)11-5-4-6-13(9-11)28-3/h4-10H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CJPMRCFYMKALED-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