Details
Stereochemistry | ACHIRAL |
Molecular Formula | C34H24N6O16S4.4Na |
Molecular Weight | 992.804 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].COC1=C(C=CC(=C1)C2=CC(OC)=C(C=C2)\N=N\C3=C(O)C4=C(N)C(=CC(=C4C=C3)S([O-])(=O)=O)S([O-])(=O)=O)\N=N\C5=CC=C6C(=CC(=C(N)C6=C5O)S([O-])(=O)=O)S([O-])(=O)=O
InChI
InChIKey=BPHHNXJPFPEJOF-GPTZEZBUSA-J
InChI=1S/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3472 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12014964 |
190.0 nM [Ki] |
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SUBSTANCE RECORD