COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK451651
Chemical Name: ethyl2-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])OC)sc2c1CCCCCC2

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Molecular Weight: 432.5
Empirical Formula: C21H24N2O6S

Physical State: Dry powder
Available Amount: 1089 mg

Lipinsky:
logP: 7.269
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 138
Number of rings: 3

     

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