General Information of the Compound
| Compound ID |
CP0579000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-tert-butyl-N-[[2-methyl-4-[2-[(1-methyltriazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N8OS
|
||||||||||||||||||
| Molecular Weight |
462.583
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ccnc(Nc2cn(C)nn2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N8OS/c1-14-10-15(17-8-9-24-22(27-17)28-19-13-31(5)30-29-19)6-7-16(14)11-25-20(32)18-12-26-21(33-18)23(2,3)4/h6-10,12-13H,11H2,1-5H3,(H,25,32)(H,24,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MPNRAWQJWKZFQV-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