General Information of the Compound
| Compound ID |
CP0376358
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl N-[4-[2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N7O2S
|
||||||||||||||||||
| Molecular Weight |
529.67
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)OCc3ccccc3)cc2)nc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N7O2S/c1-3-34-13-15-35(16-14-34)26-17-25(30-20(2)31-26)33-27-29-18-24(38-27)22-9-11-23(12-10-22)32-28(36)37-19-21-7-5-4-6-8-21/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,32,36)(H,29,30,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUYVQTSLRTWYEA-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
Protein ID: PT00980, Aurora kinase A
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2