COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK591354
Chemical Name: 2-[(1Z)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-5-methyl-2-oxohexan-3-yl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc2/C(=C/C(=O)C(N3C(=O)c4c(C3=O)cccc4)CC(C)C)/NCCc2cc1OC

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Molecular Weight: 448.52
Empirical Formula: C26H28N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.994
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 4

     

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