COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529654
Chemical Name: ethyl2-chloro-5-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)benzoate
Smiles: CCOC(=O)c1cc(ccc1Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 431.94
Empirical Formula: C21H22ClN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.721
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 93
Number of rings: 4

     

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