COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK081481
Chemical Name: (2E)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)Nc2nc3c(s2)cc(cc3)S(=O)(=O)C)cc(c1OC)OC

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Molecular Weight: 448.52
Empirical Formula: C20H20N2O6S2

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 2.446
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 140
Number of rings: 3

     

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