COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL340821
Chemical Name: methyl4-[({[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1ccc(c(c1)OC)OC

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Molecular Weight: 443.48
Empirical Formula: C20H21N5O5S

Physical State: Dry powder
Available Amount: 240 mg

Lipinsky:
logP: 4.302
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 155
Number of rings: 3

     

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