COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432574
Chemical Name: 5-{3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])N2CCN(CC2)c2ccc(cc2)[N+](=O)[O-])C(=O)N1

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Molecular Weight: 466.41
Empirical Formula: C21H18N6O7

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: 4.21
Rotatable bonds: 1
H-donors: 2
H-acceptors: 7
PSA: 173
Number of rings: 4

     

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