COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528010
Chemical Name: ethyl3-({[(1S)-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)c1cccc(c1)NC(=S)N1C[C@@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 397.5
Empirical Formula: C21H23N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.041
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 93
Number of rings: 4

     

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