COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL033948
Chemical Name: (1S,5S)-3-[(2S)-2-aminopropanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)[C@@H](N)C

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Saltdata: HCl
Molecular Weight: 261.32
Empirical Formula: C14H19N3O2

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: -0.525
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 66
Number of rings: 3

     

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