COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171326
Chemical Name: methyl2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCCCC2

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Molecular Weight: 418.47
Empirical Formula: C20H22N2O6S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.69
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 138
Number of rings: 3

     

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