COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK688759
Chemical Name: 8-nitro-3-(phenylsulfonyl)-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1NC(=O)C2(C(=O)N1)Cc1cc(ccc1N1C2CN(CC1)S(=O)(=O)c1ccccc1)[N+](=O)[O-]

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Molecular Weight: 485.48
Empirical Formula: C21H19N5O7S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.849
Rotatable bonds: 0
H-donors: 2
H-acceptors: 7
PSA: 170
Number of rings: 5

     

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