General Information of the Compound
| Compound ID |
CP0861773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-(4-((3-fluoro-4-methoxyphenyl)ethynyl)phenyl)(3-(hydroxymethyl)piperidin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22FNO3
|
||||||||||||||||||
| Molecular Weight |
367.42
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22FNO3/c1-27-21-11-8-17(13-20(21)23)5-4-16-6-9-19(10-7-16)22(26)24-12-2-3-18(14-24)15-25/h6-11,13,18,25H,2-3,12,14-15H2,1H3/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZNLTPQKSMLTMN-GOSISDBHSA-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