General Information of the Compound
| Compound ID |
CP0420555
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 4-[5-(3-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N4O5S
|
||||||||||||||||||
| Molecular Weight |
458.54
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)n1ncc2cc(Oc3cccc(c3)S(C)(=O)=O)ncc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N4O5S/c1-15(2)30-22(27)25-9-7-17(8-10-25)26-20-14-23-21(11-16(20)13-24-26)31-18-5-4-6-19(12-18)32(3,28)29/h4-6,11-15,17H,7-10H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XTHUECUUQGZADY-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