General Information of the Compound
| Compound ID |
CP0310834
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one
3-Imidazol-1-ylmethyl-xanthen-9-one
BDBM50097364
CHEMBL350922
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H12N2O2
|
||||||||||||||||||
| Molecular Weight |
276.295
|
||||||||||||||||||
| Canonical SMILES |
O=c1c2ccccc2oc2cc(Cn3ccnc3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H12N2O2/c20-17-13-3-1-2-4-15(13)21-16-9-12(5-6-14(16)17)10-19-8-7-18-11-19/h1-9,11H,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GFCUIFVKCOEHQN-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
Clinical Information about the Compound