COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK401151
Chemical Name: dimethyl2-[({[4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate
Smiles: CCn1c(SCC(=O)Nc2cc(ccc2C(=O)OC)C(=O)OC)nnc1c1ccc(cc1)F

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Molecular Weight: 472.5
Empirical Formula: C22H21FN4O5S

Physical State: Dry powder
Available Amount: 292 mg

Lipinsky:
logP: 5.868
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 137
Number of rings: 3

     

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