COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529699
Chemical Name: 5-{4-[(1,3-dimethyl-2,4,6-trioxo-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}hexahydropyrimidin-5-yl)methyl]benzyl}-1,3-dimethyl-5-{[(1R,5S)-8-oxo-1,5
Smiles: O=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)CC1(CN2C[C@@H]3C[C@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

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Molecular Weight: 818.93
Empirical Formula: C44H50N8O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.755
Rotatable bonds: 6
H-donors: 0
H-acceptors: 8
PSA: 162
Number of rings: 9

     

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