General Information of the Compound
| Compound ID |
CP0236801
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N6O2
|
||||||||||||||||||
| Molecular Weight |
428.496
|
||||||||||||||||||
| Canonical SMILES |
O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CC2)OCc2ccccc32)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N6O2/c31-23-19-5-9-25-22(21(19)26-16-27-23)30-14-17(13-28-30)6-10-29-11-7-24(8-12-29)20-4-2-1-3-18(20)15-32-24/h1-5,9,13-14,16H,6-8,10-12,15H2,(H,26,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMPDPRRYFWPZOM-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