General Information of the Compound
| Compound ID |
CP0372396
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((2-methoxy-4-((3-(4-nitrobenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H20N2O8S
|
||||||||||||||||||
| Molecular Weight |
520.519
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)[N+]([O-])=O)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H20N2O8S/c1-35-22-12-18(6-11-21(22)36-15-17-2-7-19(8-3-17)25(30)31)13-23-24(29)27(26(32)37-23)14-16-4-9-20(10-5-16)28(33)34/h2-13H,14-15H2,1H3,(H,30,31)/b23-13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKRJGQHXGJGZLB-QRVIBDJDSA-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