General Information of the Compound
| Compound ID |
CP0701326
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(2-Nitro-vinyl)-phenoxysulfonyl]-benzoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
4-(4-(2-nitrovinyl)phenoxysulfonyl)benzoic acid
4-[4-(2-Nitro-vinyl)-phenoxysulfonyl]-benzoic acid
4-[4-[(E)-2-Nitroethenyl]phenoxysulfonyl]benzoic acid
BDBM50007075
CHEMBL76958
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H11NO7S
|
||||||||||||||||||
| Molecular Weight |
349.32
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H11NO7S/c17-15(18)12-3-7-14(8-4-12)24(21,22)23-13-5-1-11(2-6-13)9-10-16(19)20/h1-10H,(H,17,18)/b10-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JJLJZGDGOYIKBT-MDZDMXLPSA-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
Clinical Information about the Compound