COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK782606
Chemical Name: 3-benzyl-8-nitro-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)Cc1ccccc1)[N+](=O)[O-]

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Molecular Weight: 435.44
Empirical Formula: C22H21N5O5

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 3.203
Rotatable bonds: 1
H-donors: 2
H-acceptors: 5
PSA: 127
Number of rings: 5

     

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