General Information of the Compound
| Compound ID |
CP0525855
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-adamantyl)-4-(4-fluorobutyl)-7-hydroxy-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29FN4O3
|
||||||||||||||||||
| Molecular Weight |
416.497
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc2n(CCCCF)c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c(O)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29FN4O3/c1-26-12-16-18(25-26)19(28)17(21(30)27(16)5-3-2-4-23)20(29)24-22-9-13-6-14(10-22)8-15(7-13)11-22/h12-15,28H,2-11H2,1H3,(H,24,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTXJOHIMMKHLOC-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