COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036425
Chemical Name: methyl2-({[1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
Smiles: COc1ccc(c(c1)OC)C1N(CCC2(C1CCCC2)O)CC(=O)Nc1sc(c(c1C(=O)OC)C)C

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Molecular Weight: 516.66
Empirical Formula: C27H36N2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.097
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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