COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK144666
Chemical Name: 3-({[(5-{[(1,3-benzodioxol-5-ylcarbonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoicacid
Smiles: O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 469.48
Empirical Formula: C21H19N5O6S

Physical State: Dry powder
Available Amount: 294 mg

Lipinsky:
logP: 2.112
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 169
Number of rings: 4

     

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