COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543519
Chemical Name: methyl3-(4-hydroxy-3,5-dimethoxyphenyl)-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)c1cc(OC)c(c(c1)OC)O

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Molecular Weight: 552.58
Empirical Formula: C29H32N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.438
Rotatable bonds: 10
H-donors: 2
H-acceptors: 9
PSA: 135
Number of rings: 5

     

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