COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589275
Chemical Name: 7'-{[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]amino}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: SC1=NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=N1)O

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Molecular Weight: 482.52
Empirical Formula: C22H22N6O5S

Physical State: Dry powder
Available Amount: 192 mg

Lipinsky:
logP: -0.581
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 173
Number of rings: 5

     

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