COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534346
Chemical Name: (5Z)-3-{2-oxo-2-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CN1C(=O)S/C(=C\c2cccs2)/C1=O

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Molecular Weight: 441.53
Empirical Formula: C21H19N3O4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.177
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 131
Number of rings: 5

     

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