COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002520
Chemical Name: methyl2-({[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)CN2CCC3(C(C2c2ccc4c(c2)OCO4)CCCC3)O)sc2c1CCCC2

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Molecular Weight: 526.65
Empirical Formula: C28H34N2O6S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 6.013
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 6

     

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