COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL029331
Chemical Name: ethyl2-{[(4-ethoxyphenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: CCOc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)OCC)CCCCCC2

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Molecular Weight: 401.53
Empirical Formula: C22H27NO4S

Physical State: Dry powder
Available Amount: 2290 mg

Lipinsky:
logP: 8.023
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 3

     

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