General Information of the Compound
| Compound ID |
CP0959035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-2-(1-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)piperidin-4-yl)propanenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N6O2
|
||||||||||||||||||
| Molecular Weight |
394.479
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CCC(C(C)(C)C#N)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N6O2/c1-13-16(19(29)26-9-7-14(8-10-26)21(2,3)12-22)11-23-27(13)20-24-17-6-4-5-15(17)18(28)25-20/h11,14H,4-10H2,1-3H3,(H,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQUGDTKNQRCQCU-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