COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK792957
Chemical Name: 3-(2-hydroxyethyl)-2-{(1E,3Z)-3-[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]-2-methylprop-1-en-1-yl}-1,3-benzothiazol-3-ium4-methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)[O-].OCCn1/c(=C/C(=C/c2sc3c([n+]2CCO)cccc3)/C)/sc2c1cccc2

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Molecular Weight: 582.77
Empirical Formula: C29H30N2O5S3

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 0
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 166
Number of rings: 5

     

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