COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456198
Chemical Name: ethyl2-[(1,3-benzodioxol-5-ylcarbamothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)Nc2ccc3c(c2)OCO3)sc2c1CCCCCC2

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Molecular Weight: 432.56
Empirical Formula: C21H24N2O4S2

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 7.3
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 129
Number of rings: 4

     

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