COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL331773
Chemical Name: dimethyl2-{[(3-nitrophenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Smiles: COC(=O)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])sc2c1C(CC2)C(=O)OC

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Molecular Weight: 404.4
Empirical Formula: C18H16N2O7S

Physical State: Dry powder
Available Amount: 209 mg

Lipinsky:
logP: 4.004
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 155
Number of rings: 3

     

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