COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL231835
Chemical Name: methyl2-({[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)CN2CCC3(C(C2c2ccc(cc2)F)CCCC3)O)sc(c1C)C

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Molecular Weight: 474.6
Empirical Formula: C25H31FN2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.437
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 107
Number of rings: 4

     

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