COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543301
Chemical Name: (1S,5R)-3-{[1-oxo-2-(pyridin-4-ylmethyl)-1,2-dihydroisoquinolin-4-yl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(c1cn(Cc2ccncc2)c(=O)c2c1cccc2)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 452.51
Empirical Formula: C27H24N4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.15
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 73
Number of rings: 6

     

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