COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK764260
Chemical Name: 5-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1NC(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])N2CCc3c(C2)cccc3)C(=O)N1

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Molecular Weight: 408.44
Empirical Formula: C20H16N4O4S

Physical State: Dry powder
Available Amount: 15 mg

Lipinsky:
logP: 4.752
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 139
Number of rings: 4

     

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