COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK109348
Chemical Name: 5-({[(2E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-2-chlorobenzoicacid
Smiles: COc1ccc(cc1/C=C/C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl)Br

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Molecular Weight: 469.74
Empirical Formula: C18H14BrClN2O4S

Physical State: Dry powder
Available Amount: 211 mg

Lipinsky:
logP: 5.459
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 119
Number of rings: 2

     

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