General Information of the Compound
| Compound ID |
CP0569225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[3-(2,2-dimethylpropanoyl)-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25NO5
|
||||||||||||||||||
| Molecular Weight |
407.466
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1ccc(cc1)N1C(C(C(=O)C(C)(C)C)=C(O)C1=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25NO5/c1-5-30-23(29)16-11-13-17(14-12-16)25-19(15-9-7-6-8-10-15)18(20(26)22(25)28)21(27)24(2,3)4/h6-14,19,26H,5H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWDGROJDEXNLBM-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