COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539344
Chemical Name: (1S,5R)-3-[(5-hydroxy-1-methyl-4-oxo-6-{[4-(2,3,4-trimethoxybenzyl)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: COc1ccc(c(c1OC)OC)CN1CCN(CC1)Cc1n(C)c(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O

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Molecular Weight: 605.73
Empirical Formula: C33H43N5O6

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 1.103
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 98
Number of rings: 6

     

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