COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK190123
Chemical Name: 5-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C=C1C(=O)N(C)C(=S)N(C1=O)C

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Molecular Weight: 472.44
Empirical Formula: C20H16N4O8S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 1.089
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 182
Number of rings: 3

     

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