COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK117847
Chemical Name: methyl2-chloro-5-[({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(n1CC)c1ccc(cc1)C

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Molecular Weight: 444.94
Empirical Formula: C21H21ClN4O3S

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 5.897
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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