COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536830
Chemical Name: (1S,5S)-N-[(2S)-1-{[4-(acetylamino)phenyl]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: CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1

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Molecular Weight: 513.6
Empirical Formula: C29H31N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.687
Rotatable bonds: 2
H-donors: 3
H-acceptors: 4
PSA: 110
Number of rings: 5

     

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