General Information of the Compound
| Compound ID |
CP0558778
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(2-isoquinolin-4-ylethynyl)-4-methyl-1,3-thiazol-2-yl]urea
Show/Hide
|
||||||||||||||||||
| Formula |
C22H22N4O2S
|
||||||||||||||||||
| Molecular Weight |
406.511
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1cncc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O2S/c1-15-20(9-8-18-13-23-12-17-4-2-3-5-19(17)18)29-22(25-15)26-21(27)24-10-11-28-14-16-6-7-16/h2-5,12-13,16H,6-7,10-11,14H2,1H3,(H2,24,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LISJZJNFNBTSBT-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 | |||||||||||||||||||
| 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