COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK588641
Chemical Name: 2-[(4Z)-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxobutyl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc2/C(=C/C(=O)CCN3C(=O)c4c(C3=O)cccc4)/NCCc2cc1OC

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Molecular Weight: 406.44
Empirical Formula: C23H22N2O5

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.182
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 4

     

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