COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL233982
Chemical Name: 7-[(2-chloro-6-fluorobenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-chromen-2-one
Smiles: O=C(N1CCC2(C(C1)CCCC2)O)Cc1c(=O)oc2c(c1C)ccc(c2)OCc1c(F)cccc1Cl

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Molecular Weight: 513.99
Empirical Formula: C28H29ClFNO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.121
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 5

     

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