COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525523
Chemical Name: 5-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)-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-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 568.63
Empirical Formula: C32H32N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.575
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 108
Number of rings: 7

     

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