COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546207
Chemical Name: (1S,5S)-N-[(2S)-1-{[4-(acetylamino)phenyl]amino}-4-(methylsulfanyl)-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: CSCC[C@@H](C(=O)Nc1ccc(cc1)NC(=O)C)NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 497.62
Empirical Formula: C25H31N5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.808
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 136
Number of rings: 4

     

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