COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473728
Chemical Name: dimethyl2-[({[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)CSc1nnc(n1CC)c1csc(c1C)C)C(=O)OC

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Molecular Weight: 488.59
Empirical Formula: C22H24N4O5S2

Physical State: Dry powder
Available Amount: 430 mg

Lipinsky:
logP: 6.245
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 165
Number of rings: 3

     

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