COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK197932
Chemical Name: methyl4-({[(5-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)CC(=O)Nc1ccc(c(c1)C)C

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Molecular Weight: 467.55
Empirical Formula: C23H25N5O4S

Physical State: Dry powder
Available Amount: 165 mg

Lipinsky:
logP: 4.314
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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