COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543643
Chemical Name: (1S,5R)-3-[(5-hydroxy-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Oc1c(=O)cc(oc1CN1CCN(CC1)S(=O)(=O)C)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 490.58
Empirical Formula: C23H30N4O6S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 0.693
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 5

     

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