COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560213
Chemical Name: 1-(4-fluorobenzyl)-5-{[1-(4-fluorobenzyl)-4-hydroxy-2-oxo-6-sulfanyl-1,2-dihydropyrimidin-5-yl](4-methoxy-3-{[(1R,5R)-8-oxo-1,3,5,6,8-pentahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium-3(4H)-yl
Smiles: COc1ccc(cc1C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C(c1c(O)nc(n(c1=O)Cc1ccc(cc1)F)[S-])c1c(O)nc(=O)n(c1S)Cc1ccc(cc1)F

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Molecular Weight: 824.93
Empirical Formula: C42H38F2N6O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.285
Rotatable bonds: 11
H-donors: 3
H-acceptors: 6
PSA: 178
Number of rings: 8

     

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