COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525910
Chemical Name: 1,3-dimethyl-7-{2-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cn2

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Molecular Weight: 396.45
Empirical Formula: C20H24N6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.615
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 5

     

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