General Information of the Compound
| Compound ID |
CP0446668
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-2,6-dimethylpiperidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N5O2S2
|
||||||||||||||||||
| Molecular Weight |
441.582
|
||||||||||||||||||
| Canonical SMILES |
CC1CC(=O)CC(C)N1C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N5O2S2/c1-11-7-16(27)8-12(2)26(11)20(28)15-5-6-18(22-9-15)25-21-24-17(10-29-21)19-13(3)23-14(4)30-19/h5-6,9-12H,7-8H2,1-4H3,(H,22,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DPUZQHDPUMFPHB-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