General Information of the Compound
| Compound ID |
CP0444978
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[(3,5-difluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16F2N6O2S
|
||||||||||||||||||
| Molecular Weight |
442.451
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2cc(F)cc(F)c2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16F2N6O2S/c1-12-17(18(29)24-9-13-3-2-4-23-8-13)31-19(26-12)27-11-25-28(20(27)30)10-14-5-15(21)7-16(22)6-14/h2-8,11H,9-10H2,1H3,(H,24,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CHEATIQXHDZDGV-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