COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536973
Chemical Name: (1S,5S)-N-[(2S)-1-{[4-(benzyloxy)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)OCc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 546.69
Empirical Formula: C30H34N4O4S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.011
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 116
Number of rings: 5

     

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