COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540186
Chemical Name: (1S,5S)-N-{(2S)-1-[(4-acetylphenyl)amino]-1-oxo-3-phenylpropan-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)C(=O)C)Cc1ccccc1

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Molecular Weight: 498.58
Empirical Formula: C29H30N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.379
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 98
Number of rings: 5

     

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