COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536290
Chemical Name: dimethyl2-({(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzene-1,4-dicarboxylate
Smiles: N#C/C(=C\Nc1cc(ccc1C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(cc1)Br

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Molecular Weight: 498.36
Empirical Formula: C22H16BrN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.982
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 129
Number of rings: 3

     

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