General Information of the Compound
| Compound ID |
CP0464692
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-Methoxy-3-(thiophen-3-yl)coumarin
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H10O3S
|
||||||||||||||||||
| Molecular Weight |
258.298
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2cc(-c3ccsc3)c(=O)oc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H10O3S/c1-16-11-3-2-9-6-12(10-4-5-18-8-10)14(15)17-13(9)7-11/h2-8H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAJKAWOYYMLWNI-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: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B