General Information of the Compound
| Compound ID |
CP0864456
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-isopropoxy-5-(3-(1-(piperidin-1-yl)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N4O2
|
||||||||||||||||||
| Molecular Weight |
428.536
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CCCCC3)no2)cc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N4O2/c1-17(2)31-24-12-9-18(15-19(24)16-27)26-28-25(29-32-26)22-8-6-7-21-20(22)10-11-23(21)30-13-4-3-5-14-30/h6-9,12,15,17,23H,3-5,10-11,13-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFXKYOCRULMIAP-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