COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK664100
Chemical Name: 2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoicacid
Smiles: OC(=O)c1ccccc1CSc1nnc(n1C)C

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Molecular Weight: 263.32
Empirical Formula: C12H13N3O2S

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 2.128
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 93
Number of rings: 2

     

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