COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539985
Chemical Name: 2-ethyl-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
Smiles: CCc1cc2c(cc1OCC(=O)N1CCC3(C(C1)CCCC3)O)oc(=O)c1c2CCCC1

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Molecular Weight: 439.55
Empirical Formula: C26H33NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.346
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 5

     

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