COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK573688
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}-1-ethyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=NC(=O)/C(=C/Nc2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=NC(=NC2=O)O)O)/C1=O)S

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Molecular Weight: 511.56
Empirical Formula: C23H25N7O5S

Physical State: Dry powder
Available Amount: 265 mg

Lipinsky:
logP: 0.18
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 189
Number of rings: 5

     

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