COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543170
Chemical Name: methyl3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-(3-hydroxy-4-oxo-6-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-4H-pyran-2-yl)propanoate
Smiles: COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(c(c1)OCC(=O)N)OC

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Molecular Weight: 579.61
Empirical Formula: C30H33N3O9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.247
Rotatable bonds: 12
H-donors: 3
H-acceptors: 9
PSA: 157
Number of rings: 5

     

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