General Information of the Compound
| Compound ID |
CP0407845
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-5-propylpyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N6O2S
|
||||||||||||||||||
| Molecular Weight |
422.514
|
||||||||||||||||||
| Canonical SMILES |
CCCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1cc(C)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N6O2S/c1-4-6-17-16(20(28)22-11-15-9-14(3)26-29-15)12-24-27(17)21-23-10-13(2)19(25-21)18-7-5-8-30-18/h5,7-10,12H,4,6,11H2,1-3H3,(H,22,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GXTJNLVWCUPEAP-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