COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL445500
Chemical Name: ethyl2-[({[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC)c2cccc(c2)Cl)sc(c1C)C

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Molecular Weight: 479.02
Empirical Formula: C21H23ClN4O3S2

Physical State: Dry powder
Available Amount: 750 mg

Lipinsky:
logP: 7.2
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 139
Number of rings: 3

     

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