COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK373099
Chemical Name: 3-(2-{(1E)-2-[(carboxymethyl)sulfanyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate
Smiles: CC/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])c1ccccc1cc2)/SCC(=O)O

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Molecular Weight: 451.59
Empirical Formula: C20H21NO5S3

Physical State: Dry powder
Available Amount: 74 mg

Lipinsky:
logP: 0
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 160
Number of rings: 3

     

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