COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539623
Chemical Name: (1S,5R)-3-[(6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-5-hydroxy-1-methyl-4-oxo-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)Cc1ccc2c(c1)OCO2)C

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Molecular Weight: 559.67
Empirical Formula: C31H37N5O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 1.526
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 7

     

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