COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431186
Chemical Name: 5-[4-(4-methylpiperazin-1-yl)-3-nitrobenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C=C1C(=O)NC(=S)NC1=O

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Molecular Weight: 375.41
Empirical Formula: C16H17N5O4S

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 2.822
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 142
Number of rings: 3

     

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