COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL441630
Chemical Name: 3,4,5-trimethoxy-N-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)carbonothioyl]benzamide
Smiles: COc1c(OC)cc(cc1OC)C(=O)NC(=S)N1CC2CC(C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 443.52
Empirical Formula: C22H25N3O5S

Physical State: Dry powder
Available Amount: 380 mg

Lipinsky:
logP: 1.122
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 4

     

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