COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK217653
Chemical Name: 2-[(4-nitrobenzyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Smiles: O=C1CC(Cc2c1cn1nc(nc1n2)SCc1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 431.47
Empirical Formula: C22H17N5O3S

Physical State: Dry powder
Available Amount: 386 mg

Lipinsky:
logP: 4.404
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 131
Number of rings: 5

     

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