COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK367806
Chemical Name: 3-(2-{(Z)-[3-(3-sulfopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Smiles: [O-]S(=O)(=O)CCC[n+]1c(/C=c/2\sc3c(n2CCCS(=O)(=O)O)cccc3)sc2c1cccc2

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Saltdata: (C2H5)3N
Molecular Weight: 526.68
Empirical Formula: C21H22N2O6S4

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 0
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 188
Number of rings: 4

     

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