COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK586478
Chemical Name: (5Z)-5-{[(2',6'-dihydroxy-3-methyl-4'-oxo-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-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C/Nc2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=NC(=NC2=O)O)O)/C1=O)O

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Molecular Weight: 507.51
Empirical Formula: C24H25N7O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.523
Rotatable bonds: 5
H-donors: 4
H-acceptors: 6
PSA: 170
Number of rings: 5

     

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