General Information of the Compound
| Compound ID |
CP0479399
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-(oxan-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H18N4O3
|
||||||||||||||||||
| Molecular Weight |
290.323
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cnc2[nH]ncc2c1NC1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H18N4O3/c1-2-21-14(19)11-7-15-13-10(8-16-18-13)12(11)17-9-3-5-20-6-4-9/h7-9H,2-6H2,1H3,(H2,15,16,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DITCRWGSTHYDMU-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