COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL407697
Chemical Name: 3-(2-{(1Z,3Z)-2-ethoxy-3-[3-(3-sulfopropyl)-1,3-benzothiazol-2(3H)-ylidene]prop-1-en-1-yl}-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Smiles: CCO/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])cccc2)/C=c/1\sc2c(n1CCCS(=O)(=O)O)cccc2

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Saltdata: (C2H5)3N
Molecular Weight: 596.77
Empirical Formula: C25H28N2O7S4

Physical State: Dry powder
Available Amount: 182 mg

Lipinsky:
logP: 0
Rotatable bonds: 12
H-donors: 1
H-acceptors: 7
PSA: 198
Number of rings: 4

     

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