General Information of the Compound
| Compound ID |
CP0501923
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(5-chloro-2-methoxyphenyl)methyl]-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28ClN5O4S
|
||||||||||||||||||
| Molecular Weight |
506.028
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cl)cc1Cn1nc(cc1-c1sc(NC(=O)C(C)(C)C)nc1C)C(=O)NCCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28ClN5O4S/c1-13-19(34-22(26-13)27-21(32)23(2,3)4)17-11-16(20(31)25-8-9-30)28-29(17)12-14-10-15(24)6-7-18(14)33-5/h6-7,10-11,30H,8-9,12H2,1-5H3,(H,25,31)(H,26,27,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DYYAZWNOUPHVGB-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