COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK787585
Chemical Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-(3-bromophenyl)-4H-1,2,4-triazole-3-thiol
Smiles: Brc1cccc(c1)c1nnc(n1Cc1ccc2c(c1)OCO2)S

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Molecular Weight: 390.26
Empirical Formula: C16H12BrN3O2S

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 5.352
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 87
Number of rings: 4

     

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