COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041995
Chemical Name: (5E)-1-hexyl-5-({[2-(morpholin-4-ium-4-yl)phenyl]amino}methylidene)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: CCCCCCN1C(=NC(=O)/C(=C\Nc2ccccc2[NH+]2CCOCC2)/C1=O)[S-]

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Molecular Weight: 416.54
Empirical Formula: C21H28N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.646
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 75
Number of rings: 3

     

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