COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539305
Chemical Name: (1S,5R)-3-[(5-hydroxy-1-methyl-4-oxo-6-{[4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl]methyl}-1,4-dihydropyridin-2-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=c1cc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)n(c(c1O)CN1CCN(CC1)C1CCOCC1)C

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Molecular Weight: 509.65
Empirical Formula: C28H39N5O4

Available Amount: 0 mg

Lipinsky:
logP: 1.984
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 79
Number of rings: 6

     

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