General Information of the Compound
| Compound ID |
CP0470592
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(3-hydroxyphenyl)-N-[3-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N2O4
|
||||||||||||||||||
| Molecular Weight |
366.417
|
||||||||||||||||||
| Canonical SMILES |
Oc1cccc(\C=C\C(=O)NCCCNC(=O)\C=C\c2cccc(O)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N2O4/c24-18-6-1-4-16(14-18)8-10-20(26)22-12-3-13-23-21(27)11-9-17-5-2-7-19(25)15-17/h1-2,4-11,14-15,24-25H,3,12-13H2,(H,22,26)(H,23,27)/b10-8+,11-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBNMGNOATQUFKE-GFULKKFKSA-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