COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK024655
Chemical Name: 2-{[1-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}benzoicacid
Smiles: COc1cc2c(cc1OC)CCN(C2c1ccc(cc1)Br)C(=O)c1ccccc1C(=O)O

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Molecular Weight: 496.36
Empirical Formula: C25H22BrNO5

Physical State: Dry powder
Available Amount: 427 mg

Lipinsky:
logP: 3.412
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 4

     

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