General Information of the Compound
| Compound ID |
CP0398478
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18FN7O2S
|
||||||||||||||||||
| Molecular Weight |
427.465
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1cnn(C)c1)-n1cnn(Cc2ccc(F)cc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18FN7O2S/c1-12-16(17(28)21-7-14-8-22-25(2)9-14)30-18(24-12)26-11-23-27(19(26)29)10-13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10H2,1-2H3,(H,21,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXLBZGFGGWKRHW-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