COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL273702
Chemical Name: methyl4- ({[3- propyl- 4- (1H- pyrrol- 1- yl)- 5- thioxo- 4,5- dihydro- 1H- 1,2,4- triazol- 1- yl]acetyl}amino)benzoate
Smiles: CCCc1nn(c(=S)n1n1cccc1)CC(=O)Nc1ccc(cc1)C(=O)OC

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Molecular Weight: 399.47
Empirical Formula: C19H21N5O3S

Available Amount: 0 mg

Lipinsky:
logP: 2.654
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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