General Information of the Compound
| Compound ID |
CP0511386
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-5-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenyl]-4-phenyl-pent-4-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19NO3S
|
||||||||||||||||||
| Molecular Weight |
389.476
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CC\C(=C\c1cc(OCc2ccsc2)ccc1C#N)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19NO3S/c24-14-20-6-8-22(27-15-17-10-11-28-16-17)13-21(20)12-19(7-9-23(25)26)18-4-2-1-3-5-18/h1-6,8,10-13,16H,7,9,15H2,(H,25,26)/b19-12-
Show/Hide
|
||||||||||||||||||
| InChIKey |
PDSHFGYPDFLPMG-UNOMPAQXSA-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