General Information of the Compound
| Compound ID |
CP0387774
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(ethoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N6O2S
|
||||||||||||||||||
| Molecular Weight |
434.525
|
||||||||||||||||||
| Canonical SMILES |
CCOCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N6O2S/c1-3-30-14-18-17(21(29)24-12-16-6-8-23-9-7-16)13-26-28(18)22-25-11-15(2)20(27-22)19-5-4-10-31-19/h4-11,13H,3,12,14H2,1-2H3,(H,24,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FJDMQJPDCNVHKQ-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