General Information of the Compound
| Compound ID |
CP0505073
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-ethoxycarbonyl-N-methyl-3-phenyl-6-[(E)-3-phenylprop-2-enoxy]inden-1-imine oxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25NO4
|
||||||||||||||||||
| Molecular Weight |
439.511
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1c(-c2ccccc2)c2ccc(OC\C=C\c3ccccc3)cc2[c-]1[N+](C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25NO4/c1-3-32-28(30)26-25(21-14-8-5-9-15-21)23-17-16-22(19-24(23)27(26)29(2)31)33-18-10-13-20-11-6-4-7-12-20/h4-17,19H,3,18H2,1-2H3/b13-10+,29-27+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JNEKKRPEDXNPKN-BRCFUMFKSA-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