General Information of the Compound
| Compound ID |
CP0285661
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N4O3S
|
||||||||||||||||||
| Molecular Weight |
448.548
|
||||||||||||||||||
| Canonical SMILES |
O=C1CCCN1C1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N4O3S/c29-22-4-2-10-28(22)17-7-11-27(12-8-17)14-16-15-30-20-13-18(5-6-19(16)20)31-24-26-23-21(32-24)3-1-9-25-23/h1,3,5-6,9,13,15,17H,2,4,7-8,10-12,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNUWMYXCQATFJB-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