COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565413
Chemical Name: 3-benzyl-7-{2-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethoxy}-4,8-dimethyl-2H-chromen-2-one
Smiles: Clc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1

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Molecular Weight: 586.13
Empirical Formula: C35H36ClNO5

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 7.303
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 6

     

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