COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK835819
Chemical Name: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)C1COc2c(O1)cccc2

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Molecular Weight: 446.49
Empirical Formula: C23H18N4O4S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.662
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 120
Number of rings: 5

     

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