COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552589
Chemical Name: 2-(3-hydroxy-6-methyl-4-oxo-2',3',5',6'-tetrahydro-4H,4'H-2,4'-bipyran-4'-yl)-N-{4-(methylsulfanyl)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butan-2-
Smiles: CSCCC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)CC1(CCOCC1)c1oc(C)cc(=O)c1O

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Molecular Weight: 571.69
Empirical Formula: C29H37N3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.151
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 150
Number of rings: 5

     

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