General Information of the Compound
| Compound ID |
CP0095788
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N4O4
|
||||||||||||||||||
| Molecular Weight |
462.55
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N4O4/c1-32-21-10-6-20(7-11-21)24-27-28-25(34-24)26(31)30-16-12-23(13-17-30)33-22-8-4-19(5-9-22)18-29-14-2-3-15-29/h4-11,23H,2-3,12-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VISZXWKIWZTHGH-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