COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK331470
Chemical Name: 5-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])Sc2nc3c(s2)cccc3)C(=O)N1C

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Molecular Weight: 454.49
Empirical Formula: C20H14N4O5S2

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 3.736
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 169
Number of rings: 4

     

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