General Information of the Compound
| Compound ID |
CP0897621
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-hydroxy-3-methoxybenzylidene)-1-(3-chlorophenyl)pyrazolidine-3,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13ClN2O4
|
||||||||||||||||||
| Molecular Weight |
344.754
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13ClN2O4/c1-24-15-8-10(5-6-14(15)21)7-13-16(22)19-20(17(13)23)12-4-2-3-11(18)9-12/h2-9,21H,1H3,(H,19,22)/b13-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYRNUSZDFUPATQ-NTUHNPAUSA-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