General Information of the Compound
| Compound ID |
CP0462303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{7-[({7-[(3-carboxyphenyl)sulfamoyl]-5-hydroxynaphthalen-2-yl}carbamoyl)amino]-4-hydroxynaphthalene-2-sulfonamido}benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H26N4O11S2
|
||||||||||||||||||
| Molecular Weight |
742.744
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cccc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(cc5c4)S(=O)(=O)Nc4cccc(c4)C(O)=O)cc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H26N4O11S2/c40-31-17-27(51(47,48)38-25-5-1-3-19(11-25)33(42)43)15-21-13-23(7-9-29(21)31)36-35(46)37-24-8-10-30-22(14-24)16-28(18-32(30)41)52(49,50)39-26-6-2-4-20(12-26)34(44)45/h1-18,38-41H,(H,42,43)(H,44,45)(H2,36,37,46)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHCWKRNSIGITDV-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