COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK591501
Chemical Name: (5E)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-1-ethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCN1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C4N3CCN(C4)c3ccccc3)C(=NC(=NC2=O)O)O)/C1=O

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Molecular Weight: 557.57
Empirical Formula: C28H27N7O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.49
Rotatable bonds: 3
H-donors: 4
H-acceptors: 6
PSA: 167
Number of rings: 6

     

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