General Information of the Compound
| Compound ID |
CP0434015
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27FN6OS
|
||||||||||||||||||
| Molecular Weight |
454.575
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1sc(NC(=O)c2cnn(c2C)-c2ccc(F)cc2)nc1C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27FN6OS/c1-15-19(14-25-30(15)18-8-6-17(24)7-9-18)21(31)27-23-26-20(16-4-3-5-16)22(32-23)29-12-10-28(2)11-13-29/h6-9,14,16H,3-5,10-13H2,1-2H3,(H,26,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TVIMYRBJYTWVRP-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