COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524780
Chemical Name: (2E)-1-(4-bromophenyl)-3-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)/C=C/C(=O)c1ccc(cc1)Br

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Molecular Weight: 402.29
Empirical Formula: C20H20BrNO3

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.411
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 49
Number of rings: 3

     

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