General Information of the Compound
| Compound ID |
CP0838179
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-methyl-1-(4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20N6O2S
|
||||||||||||||||||
| Molecular Weight |
444.52
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cnn1-c1nc2ccsc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20N6O2S/c1-15-17(13-25-29(15)22-26-18-7-12-32-19(18)20(30)27-22)21(31)28-10-8-23(14-24,9-11-28)16-5-3-2-4-6-16/h2-7,12-13H,8-11H2,1H3,(H,26,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODGXSFRWQNGHDY-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