COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK591891
Chemical Name: (3E,11aS)-3-{4-[(2,4-dichlorobenzyl)oxy]benzylidene}-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: O=C1N/C(=C/c2ccc(cc2)OCc2ccc(cc2Cl)Cl)/C(=O)N2[C@H]1Cc1ccccc1C2

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Molecular Weight: 479.36
Empirical Formula: C26H20Cl2N2O3

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.688
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 58
Number of rings: 5

     

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