General Information of the Compound
| Compound ID |
CP0516606
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-fluorobutyl)-7-hydroxy-N-(3-hydroxy-1-adamantyl)-1-methyl-5-oxo-3a,7a-dihydropyrazolo[4,3-b]pyridine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H31FN4O4
|
||||||||||||||||||
| Molecular Weight |
434.512
|
||||||||||||||||||
| Canonical SMILES |
CN1N=CC2C1C(O)=C(C(=O)NC13CC4CC(CC(O)(C4)C1)C3)C(=O)N2CCCCF
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31FN4O4/c1-26-17-15(11-24-26)27(5-3-2-4-23)20(30)16(18(17)28)19(29)25-21-7-13-6-14(8-21)10-22(31,9-13)12-21/h11,13-15,17,28,31H,2-10,12H2,1H3,(H,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSKGAXNBYBJWRU-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