COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596840
Chemical Name: (5Z)-3-butyl-5-{[(3-ethyl-2',6'-dihydroxy-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-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C/Nc2ccc3c(c2)CC2(C4N3CCN(C4)CC)C(=NC(=NC2=O)O)O)/C1=O)O

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Molecular Weight: 537.58
Empirical Formula: C26H31N7O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.736
Rotatable bonds: 7
H-donors: 4
H-acceptors: 6
PSA: 170
Number of rings: 5

     

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