COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK701498
Chemical Name: 4-bromo-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide
Smiles: COc1cc(ccc1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c1ccc(cc1)Br)S(=O)(=O)C=C

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Molecular Weight: 601.76
Empirical Formula: C19H17BrCl3N3O4S2

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 5.577
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 137
Number of rings: 2

     

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