COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL576441
Chemical Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-4-chlorophenol
Smiles: Clc1ccc(c(c1)c1nnc(n1Cc1ccc2c(c1)OCO2)S)O

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Molecular Weight: 361.81
Empirical Formula: C16H12ClN3O3S

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 5.793
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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