COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL131431
Chemical Name: dimethyl2-{[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)carbonothioyl]amino}benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=S)N1CC2CC(C1)c1n(C2)c(=O)ccc1)C(=O)OC

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Molecular Weight: 441.51
Empirical Formula: C22H23N3O5S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.907
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 120
Number of rings: 4

     

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