COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527576
Chemical Name: 3-methyl-N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}butanamide
Smiles: CC(CC(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C

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Molecular Weight: 420.77
Empirical Formula: C18H24Cl3N3O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.728
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 3

     

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