COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK784457
Chemical Name: 3-[(4-methylphenyl)sulfonyl]-8-nitro-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione
Smiles: S=C1NC(=O)C2(C(=O)N1)Cc1cc(ccc1N1C2CN(CC1)S(=O)(=O)c1ccc(cc1)C)[N+](=O)[O-]

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Molecular Weight: 515.57
Empirical Formula: C22H21N5O6S2

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 4.244
Rotatable bonds: 0
H-donors: 2
H-acceptors: 6
PSA: 185
Number of rings: 5

     

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