General Information of the Compound
| Compound ID |
CP0551706
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-tert-butyl-1'-(2-methoxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N4O4
|
||||||||||||||||||
| Molecular Weight |
448.523
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N4O4/c1-24(2,3)29-15-20-22(27-29)19(30)14-25(33-20)9-11-28(12-10-25)23(31)17-13-21(32-4)26-18-8-6-5-7-16(17)18/h5-8,13,15H,9-12,14H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QUDXZRCSJDRAQF-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