General Information of the Compound
| Compound ID |
CP0057239
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(2-acetamido-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)amino]-4-methylphenyl]-3-(2-cyanopropan-2-yloxy)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23N7O3S
|
||||||||||||||||||
| Molecular Weight |
501.572
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1nc2cnc(Nc3cc(NC(=O)c4cccc(OC(C)(C)C#N)c4)ccc3C)nc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23N7O3S/c1-14-8-9-17(29-21(34)16-6-5-7-18(10-16)35-25(3,4)13-26)11-19(14)30-23-27-12-20-22(32-23)36-24(31-20)28-15(2)33/h5-12H,1-4H3,(H,29,34)(H,27,30,32)(H,28,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LCFBFUHHGIKIHO-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