COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK409779
Chemical Name: methyl2-({[4a-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COc1cc(ccc1O)C1N(CCC2(C1CCCC2)O)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2

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Molecular Weight: 528.67
Empirical Formula: C28H36N2O6S

Physical State: Dry powder
Available Amount: 82 mg

Lipinsky:
logP: 5.119
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 136
Number of rings: 5

     

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