COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK418668
Chemical Name: ethyl2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCCC2

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Molecular Weight: 401.48
Empirical Formula: C21H23NO5S

Physical State: Dry powder
Available Amount: 2079 mg

Lipinsky:
logP: 6.788
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 4

     

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