General Information of the Compound
| Compound ID |
CP0555746
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[[5-tert-butyl-1-(4-fluorophenyl)-1,2,4-triazol-3-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25F2N5O2
|
||||||||||||||||||
| Molecular Weight |
441.482
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1nc(NC(=O)C(C)(C)NC(=O)c2ccc(F)cc2)nn1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25F2N5O2/c1-22(2,3)19-26-21(29-30(19)17-12-10-16(25)11-13-17)27-20(32)23(4,5)28-18(31)14-6-8-15(24)9-7-14/h6-13H,1-5H3,(H,28,31)(H,27,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RSYQKKCSSTUCAH-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