COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545975
Chemical Name: methyl4-[({[4-(4-acetylphenyl)-5-(4-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCCOc1ccc(cc1)c1nnc(n1c1ccc(cc1)C(=O)C)SCC(=O)Nc1ccc(cc1)C(=O)OC

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Molecular Weight: 544.63
Empirical Formula: C29H28N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.443
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 137
Number of rings: 4

     

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