General Information of the Compound
| Compound ID |
CP0249289
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium;(2R)-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-5-oxo-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-4-olate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22NNaO4S
|
||||||||||||||||||
| Molecular Weight |
455.511
|
||||||||||||||||||
| Canonical SMILES |
[Na+].COc1ccccc1[C@H]1N(C(=O)C([O-])=C1C(=O)C(C)C)c1ccc(cc1)-c1ccsc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23NO4S.Na/c1-15(2)23(27)21-22(19-6-4-5-7-20(19)30-3)26(25(29)24(21)28)18-10-8-16(9-11-18)17-12-13-31-14-17;/h4-15,22,28H,1-3H3;/q;+1/p-1/t22-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZWVKUWRMFLIAT-VZYDHVRKSA-M
|
||||||||||||||||||
| 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