General Information of the Compound
| Compound ID |
CP0639321
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,6-difluorobenzyl)-6-(1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)pyridin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15F5N4
|
||||||||||||||||||
| Molecular Weight |
382.336
|
||||||||||||||||||
| Canonical SMILES |
CCn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cccc2F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15F5N4/c1-2-27-16(8-17(26-27)18(21,22)23)15-7-6-11(9-25-15)24-10-12-13(19)4-3-5-14(12)20/h3-9,24H,2,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LRYKFWHCVGXLFS-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