COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK261210
Chemical Name: N-({4-ethyl-5-[(2-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzodioxole-5-carboxamide
Smiles: CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1[N+](=O)[O-]

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Molecular Weight: 441.47
Empirical Formula: C20H19N5O5S

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 2.908
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 149
Number of rings: 4

     

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