General Information of the Compound
| Compound ID |
CP0456404
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[(3-Chlorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15ClN2O3
|
||||||||||||||||||
| Molecular Weight |
366.804
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15ClN2O3/c21-16-3-1-2-14(8-16)12-25-17-4-5-18-15(11-23-7-6-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JJPOCVQOQBXDOT-UHFFFAOYSA-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial