COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049446
Chemical Name: (5E)-4,6-dioxo-1-(prop-2-en-1-yl)-5-[(1-propyl-1,2,3,4-tetrahydroquinolinium-6-yl)methylidene]-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: C=CCN1C(=NC(=O)/C(=C\c2ccc3c(c2)CCC[NH+]3CCC)/C1=O)[S-]

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Molecular Weight: 369.49
Empirical Formula: C20H23N3O2S

Physical State: Dry powder
Available Amount: 271 mg

Lipinsky:
logP: 4.755
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 54
Number of rings: 3

     

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