COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK587557
Chemical Name: 2-[(4Z)-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxo-1-phenylbutan-2-yl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc2/C(=C/C(=O)C(N3C(=O)c4c(C3=O)cccc4)Cc3ccccc3)/NCCc2cc1OC

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Molecular Weight: 482.54
Empirical Formula: C29H26N2O5

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 5.515
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 5

     

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