COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL273967
Chemical Name: ethyl4-({[3-cyclohexyl-4-(1H-pyrrol-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)Cn1nc(n(c1=S)n1cccc1)C1CCCCC1

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Molecular Weight: 453.57
Empirical Formula: C23H27N5O3S

Available Amount: 0 mg

Lipinsky:
logP: 4.182
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 4

     

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