General Information of the Compound
| Compound ID |
CP0569192
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H37F3N4O3
|
||||||||||||||||||
| Molecular Weight |
558.645
|
||||||||||||||||||
| Canonical SMILES |
CC(F)(F)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)N3CCC(O)CC3)(CC1)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37F3N4O3/c1-26(31,32)24-34-23(35-40-24)28-10-7-27(8-11-28,9-12-28)19-37(25(39)29-16-30(33,17-29)18-29)21-4-2-3-20(15-21)36-13-5-22(38)6-14-36/h2-4,15,22,38H,5-14,16-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXXHKIXKQSCOSO-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 | |||||||||||||||||||
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