General Information of the Compound
| Compound ID |
CP0488039
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32Cl2FN5OS
|
||||||||||||||||||
| Molecular Weight |
540.536
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.Cc1c(cnn1-c1ccc(F)cc1)C(=O)Nc1nc(C2CCC2)c(CCN2CCCCC2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30FN5OS.2ClH/c1-17-21(16-27-31(17)20-10-8-19(26)9-11-20)24(32)29-25-28-23(18-6-5-7-18)22(33-25)12-15-30-13-3-2-4-14-30;;/h8-11,16,18H,2-7,12-15H2,1H3,(H,28,29,32);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTSLZXLWTOUPMV-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: PT03081, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4