COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL231839
Chemical Name: methyl2-({[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)CN2CCC3(C(C2c2ccccc2OC)CCCC3)O)sc(c1C)C

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Molecular Weight: 486.63
Empirical Formula: C26H34N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.301
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 116
Number of rings: 4

     

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