General Information of the Compound
| Compound ID |
CP0713506
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-ethyl-1-(5-methyl-1-(4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)piperidine-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N6O2S
|
||||||||||||||||||
| Molecular Weight |
396.476
|
||||||||||||||||||
| Canonical SMILES |
CCC1(C#N)CCN(C(=O)c2cnn(-c3nc4sccc4c(=O)[nH]3)c2C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N6O2S/c1-3-19(11-20)5-7-24(8-6-19)17(27)14-10-21-25(12(14)2)18-22-15(26)13-4-9-28-16(13)23-18/h4,9-10H,3,5-8H2,1-2H3,(H,22,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGFLLVQNXWVXCX-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