COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL001945
Chemical Name: ethyl2-[(N-benzyl-beta-alanyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CCNCc2ccccc2)sc2c1CCCC2

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Molecular Weight: 386.52
Empirical Formula: C21H26N2O3S

Physical State: Dry powder
Available Amount: 2866 mg

Lipinsky:
logP: 5.557
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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