COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL461202
Chemical Name: 3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2H-chromen-2-one
Smiles: O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccccc1C

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Molecular Weight: 503.64
Empirical Formula: C31H37NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.067
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 5

     

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