General Information of the Compound
| Compound ID |
CP0823434
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-isopropyl-4-(4-(trifluoromethyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22F3N5O2
|
||||||||||||||||||
| Molecular Weight |
397.401
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCC(C(F)(F)F)CC3)c2C(C)C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22F3N5O2/c1-10(2)15-13(9-22-26(15)17-23-11(3)8-14(27)24-17)16(28)25-6-4-12(5-7-25)18(19,20)21/h8-10,12H,4-7H2,1-3H3,(H,23,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LMZZGXSPMCYLBK-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