COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK340949
Chemical Name: ethyl2-{[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CCCn2cnc(n2)[N+](=O)[O-])sc2c1CCCC2

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Molecular Weight: 407.45
Empirical Formula: C17H21N5O5S

Available Amount: 0 mg

Lipinsky:
logP: 3.437
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 160
Number of rings: 3

     

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