COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560457
Chemical Name: (5E)-5-[4-(azepan-1-yl)benzylidene]-1-hexyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCCCCCN1C(=NC(=O)/C(=C\c2ccc(cc2)N2CCCCCC2)/C1=O)S

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Molecular Weight: 413.58
Empirical Formula: C23H31N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.329
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 91
Number of rings: 3

     

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