COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL472561
Chemical Name: 6-chloro-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-3,4-dimethyl-2H-chromen-2-one
Smiles: O=C(N1CCC2(C(C1)CCCC2)O)COc1cc2oc(=O)c(c(c2cc1Cl)C)C

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Molecular Weight: 419.9
Empirical Formula: C22H26ClNO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.707
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 4

     

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