COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK429086
Chemical Name: (2E)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Smiles: O=C(Nc1nc2c(s1)cc(cc2)S(=O)(=O)C)/C=C/c1ccc(cc1)C(C)C

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Molecular Weight: 400.52
Empirical Formula: C20H20N2O3S2

Physical State: Dry powder
Available Amount: 921 mg

Lipinsky:
logP: 4.196
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 3

     

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