General Information of the Compound
| Compound ID |
CP0477751
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-fluoro-N-hydroxy-4-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25FN2O4
|
||||||||||||||||||
| Molecular Weight |
436.483
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(=O)NO)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25FN2O4/c1-31-21-5-2-4-18(14-21)23-6-3-13-28(23)16-17-7-10-20(11-8-17)32-24-12-9-19(15-22(24)26)25(29)27-30/h2,4-5,7-12,14-15,23,30H,3,6,13,16H2,1H3,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNXYJJOCUIMQBK-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
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor