COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038773
Chemical Name: 2-({2-[(1H-3,1-benzimidazol-3-ium-2-ylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}carbamoyl)benzoate
Smiles: O=C(c1ccccc1C(=O)[O-])Nc1ccc2c(c1)sc(n2)SCc1[nH]c2c([nH+]1)cccc2

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Molecular Weight: 460.54
Empirical Formula: C23H16N4O3S2

Physical State: Dry powder
Available Amount: 169 mg

Lipinsky:
logP: 4.016
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 165
Number of rings: 5

     

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