COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL004214
Chemical Name: 7-{2-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethoxy}-4-(trifluoromethyl)-2H-chromen-2-one
Smiles: Clc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1)oc(=O)cc2C(F)(F)F

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Molecular Weight: 535.95
Empirical Formula: C27H25ClF3NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.157
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 5

     

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