COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK372823
Chemical Name: 2-(3-sulfonato-4-{(E)-2-[2-sulfonato-4-(6-sulfonato-2H-naphtho[1,2-d][1,2,3]triazol-2-yl)phenyl]ethenyl}phenyl)-2H-naphtho[1,2-d][1,2,3]triazole-5-sulfonate
Smiles: [O-]S(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)[O-])n1nc2c(n1)cc(c1c2cccc1)S(=O)(=O)[O-])n1nc2c(n1)ccc1c2cccc1S(=O)(=O)[O-]

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Saltdata: 4Na+
Molecular Weight: 830.81
Empirical Formula: C34H18N6O12S4

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 4.017
Rotatable bonds: 2
H-donors: 0
H-acceptors: 12
PSA: 323
Number of rings: 8

     

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