COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL000816
Chemical Name: ethyl2- {[N- (2- hydroxyethyl)- N- methyl- beta- alanyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: OCCN(CCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)C

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Molecular Weight: 354.47
Empirical Formula: C17H26N2O4S

Physical State: Dry powder
Available Amount: 6419 mg

Lipinsky:
logP: 2.604
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 107
Number of rings: 2

     

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