General Information of the Compound
| Compound ID |
CP0869009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(hydroxymethyl)-2,3-diphenyl-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
Show/Hide
|
||||||||||||||||||
| Formula |
C28H20N4O2
|
||||||||||||||||||
| Molecular Weight |
444.494
|
||||||||||||||||||
| Canonical SMILES |
O=c1c(-c2ccc3ncccc3c2)c(CO)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H20N4O2/c33-17-23-24(21-13-14-22-20(16-21)12-7-15-29-22)28(34)32-27(30-23)25(18-8-3-1-4-9-18)26(31-32)19-10-5-2-6-11-19/h1-16,30,33H,17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCUVAULODPBYRG-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 | |||||||||||||||||||
| 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