COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553365
Chemical Name: methylN-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}valinate
Smiles: COC(=O)C(C(C)C)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 363.48
Empirical Formula: C18H25N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.125
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 93
Number of rings: 3

     

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