COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL019094
Chemical Name: 2-chloro-1-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]ethanone
Smiles: ClCC(=O)N1CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC

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Molecular Weight: 419.9
Empirical Formula: C22H26ClNO5

Physical State: Dry powder
Available Amount: 428 mg

Lipinsky:
logP: 3.429
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 57
Number of rings: 3

     

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