General Information of the Compound
| Compound ID |
CP0954993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((2-(Aminomethyl)-4-oxo-4H-chromen-8-yl)oxy)-N-phenylacetamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17ClN2O4
|
||||||||||||||||||
| Molecular Weight |
360.797
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(=O)c2cccc(OCC(=O)Nc3ccccc3)c2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N2O4.ClH/c19-10-13-9-15(21)14-7-4-8-16(18(14)24-13)23-11-17(22)20-12-5-2-1-3-6-12;/h1-9H,10-11,19H2,(H,20,22);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDSOACUWBQDMRY-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