COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052078
Chemical Name: (5E)-5-[(azepan-1-ylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C\NN2CCCCCC2)/C1=O)S

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Molecular Weight: 362.43
Empirical Formula: C17H19FN4O2S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.423
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 103
Number of rings: 3

     

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