General Information of the Compound
| Compound ID |
CP0636048
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-N-(2,4,6-trifluorobenzyl)pyridin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H12F6N4
|
||||||||||||||||||
| Molecular Weight |
386.299
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cc(F)cc2F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H12F6N4/c1-27-15(6-16(26-27)17(21,22)23)14-3-2-10(7-25-14)24-8-11-12(19)4-9(18)5-13(11)20/h2-7,24H,8H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBMBJBGVGQXTGU-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