COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK377888
Chemical Name: 3-(2-{(1E,3E)-3-[1-(3-sulfopropyl)naphtho[1,2-d][1,3]thiazol-2(1H)-ylidene]prop-1-en-1-yl}thieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate
Smiles: [O-]S(=O)(=O)CCC[n+]1c(/C=C/C=c\2/sc3c(n2CCCS(=O)(=O)O)c2ccccc2cc3)sc2c1c1ccsc1cc2

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Saltdata: (C2H5)3N
Molecular Weight: 658.87
Empirical Formula: C29H26N2O6S5

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 0
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 217
Number of rings: 6

     

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