COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK034816
Chemical Name: dimethyl5-[({[5-(4-bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=S)NC(=O)c2ccc(o2)c2ccc(cc2)Br)cc(c1)C(=O)OC

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Molecular Weight: 517.36
Empirical Formula: C22H17BrN2O6S

Physical State: Dry powder
Available Amount: 384 mg

Lipinsky:
logP: 5.23
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 138
Number of rings: 3

     

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