General Information of the Compound
| Compound ID |
CP0946719
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3-(1-((1,3-dihydroxypropan-2-yl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-iso-propoxybenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N4O4
|
||||||||||||||||||
| Molecular Weight |
420.469
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N(CO)CO)no2)cc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N4O4/c1-14(2)30-21-9-6-15(10-16(21)11-24)23-25-22(26-31-23)19-5-3-4-18-17(19)7-8-20(18)27(12-28)13-29/h3-6,9-10,14,20,28-29H,7-8,12-13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MIGRGTXLACAAJE-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