COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL067531
Chemical Name: (2E)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-(4-nitrophenyl)prop-2-enamide
Smiles: S=C(Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C)NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 512.57
Empirical Formula: C22H20N6O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.818
Rotatable bonds: 1
H-donors: 3
H-acceptors: 5
PSA: 199
Number of rings: 3

     

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