COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532267
Chemical Name: (2E)-1-[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)N2CCC3(C(C2c2ccccc2OC)CCCC3)O)cc(c1OC)OC

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Molecular Weight: 481.59
Empirical Formula: C28H35NO6

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.017
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 77
Number of rings: 4

     

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