COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512147
Chemical Name: 3-{[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(N1CC2CC(C1)c1n(C2)c(=O)ccc1)CN1C(=S)S/C(=C\c2ccco2)/C1=O

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Molecular Weight: 441.53
Empirical Formula: C21H19N3O4S2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.451
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 131
Number of rings: 5

     

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