COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525639
Chemical Name: (5S)-3-{3-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-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]2CC(C1)c1n(C2)c(=O)ccc1)CCN1C(=S)S/C(=C/c2cccs2)/C1=O

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Molecular Weight: 471.63
Empirical Formula: C22H21N3O3S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.644
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 146
Number of rings: 5

     

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