COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534659
Chemical Name: 5-(3,4-dimethoxybenzyl)-3-(4-ethylphenyl)-6-hydroxy-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4(3H,5H)-dione
Smiles: CCc1ccc(cc1)N1C(=O)N=C(C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(c(c1)OC)OC)O

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Molecular Weight: 584.67
Empirical Formula: C33H36N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.461
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 111
Number of rings: 6

     

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