General Information of the Compound
| Compound ID |
CP0101545
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E)-2-cyano-N-[(3-{[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]methyl}phenyl)methyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22N4O6
|
||||||||||||||||||
| Molecular Weight |
510.506
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(\C=C(/C#N)C(=O)NCc2cccc(CNC(=O)C(=C\c3ccc(O)c(O)c3)\C#N)c2)cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22N4O6/c29-13-21(9-17-4-6-23(33)25(35)11-17)27(37)31-15-19-2-1-3-20(8-19)16-32-28(38)22(14-30)10-18-5-7-24(34)26(36)12-18/h1-12,33-36H,15-16H2,(H,31,37)(H,32,38)/b21-9+,22-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMDJBNDWRYPPBA-VGENTYGXSA-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