COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565362
Chemical Name: (1S,5S)-N-{(2S)-3-methyl-1-[(4-nitrophenyl)amino]-1-oxobutan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])C(C)C

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Molecular Weight: 453.5
Empirical Formula: C23H27N5O5

Physical State: Liquid
Available Amount: 55 mg

Lipinsky:
logP: 2.748
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 127
Number of rings: 4

     

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