General Information of the Compound
| Compound ID |
CP0187206
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E)-2-cyano-N-{6-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]hexyl}-3-(3,4-dihydroxyphenyl)prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N4O6
|
||||||||||||||||||
| Molecular Weight |
490.516
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(\C=C(/C#N)C(=O)NCCCCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N4O6/c27-15-19(11-17-5-7-21(31)23(33)13-17)25(35)29-9-3-1-2-4-10-30-26(36)20(16-28)12-18-6-8-22(32)24(34)14-18/h5-8,11-14,31-34H,1-4,9-10H2,(H,29,35)(H,30,36)/b19-11+,20-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDXFBHIKHUGEOU-AYKLPDECSA-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