COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK678754
Chemical Name: 1-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: C#CCOc1c(Br)cc(cc1OC)C1NCCc2c1cc(OCC)c(c2)OCC

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Saltdata: HCl
Molecular Weight: 460.37
Empirical Formula: C23H26BrNO4

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.969
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 48
Number of rings: 3

     

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