COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596773
Chemical Name: (5Z)-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}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(N/C=C\3/C(=NC(=O)N(C3=O)C)O)ccc1N1C2CN(CC1)c1ccccc1

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Molecular Weight: 543.54
Empirical Formula: C27H25N7O6

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: -0.03
Rotatable bonds: 3
H-donors: 4
H-acceptors: 6
PSA: 170
Number of rings: 6

     

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