General Information of the Compound
| Compound ID |
CP0433967
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,4-Dichlorophenyl)-4-cyano-5-(4-(fluoromethoxy)phenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20Cl2FN5O2
|
||||||||||||||||||
| Molecular Weight |
488.35
|
||||||||||||||||||
| Canonical SMILES |
FCOc1ccc(cc1)-c1c(C#N)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20Cl2FN5O2/c24-16-6-9-20(19(25)12-16)31-22(15-4-7-17(8-5-15)33-14-26)18(13-27)21(28-31)23(32)29-30-10-2-1-3-11-30/h4-9,12H,1-3,10-11,14H2,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANTOAOJYHLZPCF-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