COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK114901
Chemical Name: methyl4-[({[4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COc1ccc(cc1)Cc1nnc(n1CC)SCC(=O)Nc1ccc(cc1)C(=O)OC

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Molecular Weight: 440.52
Empirical Formula: C22H24N4O4S

Physical State: Dry powder
Available Amount: 203 mg

Lipinsky:
logP: 4.612
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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