COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK466808
Chemical Name: dimethyl5-[({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=O)CSc2nnc(n2C)c2ccc(cc2)F)cc(c1)C(=O)OC

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Molecular Weight: 458.47
Empirical Formula: C21H19FN4O5S

Physical State: Dry powder
Available Amount: 520 mg

Lipinsky:
logP: 5.121
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 137
Number of rings: 3

     

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