COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL001847
Chemical Name: ethyl2-{[N-(2-hydroxyethyl)-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: OCCNCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2

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Molecular Weight: 340.44
Empirical Formula: C16H24N2O4S

Physical State: Dry powder
Available Amount: 1726 mg

Lipinsky:
logP: 2.974
Rotatable bonds: 9
H-donors: 3
H-acceptors: 4
PSA: 115
Number of rings: 2

     

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