COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553117
Chemical Name: N-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}-1,3-benzodioxole-5-carboxamide
Smiles: S=C(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)NC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 397.45
Empirical Formula: C20H19N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.344
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 5

     

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