COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK906707
Chemical Name: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{(Z)-[3-(2-ethylhexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCC(CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C1=O)CC

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Molecular Weight: 532.73
Empirical Formula: C29H32N4O2S2

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 5.111
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 113
Number of rings: 5

     

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