COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL322838
Chemical Name: 2-[2-(chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: ClCC(=O)N1CCc2c(C1C1C(=O)CC(CC1=O)(C)C)cc(c(c2)OC)OC

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Molecular Weight: 407.89
Empirical Formula: C21H26ClNO5

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 2.251
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 72
Number of rings: 3

     

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