COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK367949
Chemical Name: 3-[(2Z)-2-[(2E)-2-{[1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium-2-yl]methylidene}butylidene]naphtho[1,2-d][1,3]thiazol-1(2H)-yl]propane-1-sulfonate
Smiles: CC/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])c1ccccc1cc2)/C=c/1\sc2c(n1CCCS(=O)(=O)[O-])c1ccccc1cc2

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Saltdata: C6H5NH+
Molecular Weight: 679.88
Empirical Formula: C33H31N2O6S4

Physical State: Dry powder
Available Amount: 1112 mg

Lipinsky:
logP: 0
Rotatable bonds: 9
H-donors: 0
H-acceptors: 6
PSA: 191
Number of rings: 6

     

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