COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537026
Chemical Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-2H-chromen-2-one
Smiles: O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1cc2OCOc2cc1Cl

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Molecular Weight: 568.07
Empirical Formula: C31H34ClNO7

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 6.197
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 94
Number of rings: 6

     

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