COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK115050
Chemical Name: N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Smiles: CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1S

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Molecular Weight: 306.35
Empirical Formula: C13H14N4O3S

Physical State: Dry powder
Available Amount: 283 mg

Lipinsky:
logP: 1.278
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 117
Number of rings: 3

     

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