COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372888
Chemical Name: 3-[2-amino-4-(methylsulfanyl)butanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: CSCCC(C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1)N

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Saltdata: HCl
Molecular Weight: 321.44
Empirical Formula: C16H23N3O2S

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 0.527
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 91
Number of rings: 3

     

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