COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547926
Chemical Name: ethyl2-[({[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c2cccc(c2)[N+](=O)[O-])sc2c1CCCC2

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Molecular Weight: 540.62
Empirical Formula: C25H24N4O6S2

Physical State: Dry powder
Available Amount: 393 mg

Lipinsky:
logP: 6.435
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 207
Number of rings: 4

     

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