COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL113181
Chemical Name: methyl2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)CSCc2ccc(cc2)[N+](=O)[O-])sc2c1CCCC2

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Molecular Weight: 420.51
Empirical Formula: C19H20N2O5S2

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 5.537
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 154
Number of rings: 3

     

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