General Information of the Compound
| Compound ID |
CP0881568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Sodium salt of 1-(4-Benzoyl-phenyl)-3-(hydroxy-methyl-amino)-propenone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16NNaO3
|
||||||||||||||||||
| Molecular Weight |
305.309
|
||||||||||||||||||
| Canonical SMILES |
CN([O-])/C=C\C(=O)c1ccc(OCc2ccccc2)cc1.[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16NO3.Na/c1-18(20)12-11-17(19)15-7-9-16(10-8-15)21-13-14-5-3-2-4-6-14;/h2-12H,13H2,1H3;/q-1;+1/b12-11-;
Show/Hide
|
||||||||||||||||||
| InChIKey |
GWCTWDKMKGZASJ-AFEZEDKISA-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