COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546819
Chemical Name: (1S,5R)-3-[(6-{[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl}-5-hydroxy-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: Cc1ccc(c(c1)C)N1CCN(CC1)Cc1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O

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Saltdata: 2 HCl
Molecular Weight: 516.64
Empirical Formula: C30H36N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.669
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 76
Number of rings: 6

     

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