General Information of the Compound
| Compound ID |
CP0424612
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3E)-3-(1H-imidazol-5-ylmethylidene)-7-methoxychromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12N2O3
|
||||||||||||||||||
| Molecular Weight |
256.261
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C(=O)\C(COc2c1)=C\c1c[nH]cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12N2O3/c1-18-11-2-3-12-13(5-11)19-7-9(14(12)17)4-10-6-15-8-16-10/h2-6,8H,7H2,1H3,(H,15,16)/b9-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQMXCNQWOAPHIG-RUDMXATFSA-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