General Information of the Compound
| Compound ID |
CP0359386
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R,6S)-6-[(Z)-2-[4-(4-fluorophenyl)-2-methyl-6-phenylpyridin-3-yl]ethenyl]-4-hydroxyoxan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22FNO3
|
||||||||||||||||||
| Molecular Weight |
403.453
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(cc(-c2ccc(F)cc2)c1\C=C/[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22FNO3/c1-16-22(12-11-21-13-20(28)14-25(29)30-21)23(17-7-9-19(26)10-8-17)15-24(27-16)18-5-3-2-4-6-18/h2-12,15,20-21,28H,13-14H2,1H3/b12-11-/t20-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHKYOMOXQPXMQY-HTQPURHSSA-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