COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK355793
Chemical Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide
Smiles: CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1sc2c(c1C#N)CCC(C2)C

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Molecular Weight: 444.54
Empirical Formula: C20H20N4O4S2

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 5.391
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 180
Number of rings: 3

     

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