COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054365
Chemical Name: (5E)-5-[4-(azepanium-1-yl)benzylidene]-1-(4-methoxyphenyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(cc2)[NH+]2CCCCCC2)/C1=O)[S-]

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Molecular Weight: 435.55
Empirical Formula: C24H25N3O3S

Physical State: Dry powder
Available Amount: 284 mg

Lipinsky:
logP: 5.34
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 63
Number of rings: 4

     

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