General Information of the Compound
| Compound ID |
CP0806684
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Chloro-5-{[(7-{[(7-{[(4-chloro-3-sulfophenyl)amino]sulfonyl}-5-hydroxy(2-naphthyl))amino]carbonylamino}-4-hydroxy(2-naphthyl))sulfonyl]amino}benzenesulfonic Acid, Disodium Salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H22Cl2N4Na2O13S4
|
||||||||||||||||||
| Molecular Weight |
927.708
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc2c(O)cc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)[O-])c3)cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)[O-])c3)cc2c1.[Na+].[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H24Cl2N4O13S4.2Na/c34-27-7-3-21(13-31(27)55(47,48)49)38-53(43,44)23-11-17-9-19(1-5-25(17)29(40)15-23)36-33(42)37-20-2-6-26-18(10-20)12-24(16-30(26)41)54(45,46)39-22-4-8-28(35)32(14-22)56(50,51)52;;/h1-16,38-41H,(H2,36,37,42)(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2
Show/Hide
|
||||||||||||||||||
| InChIKey |
TVHUBFOOFGTDDN-UHFFFAOYSA-L
|
||||||||||||||||||
| 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