COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK577304
Chemical Name: (5Z)-1-cyclopropyl-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}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CN1CCN2C(C1)C1(Cc3c2ccc(c3)N/C=C\2/C(=O)N=C(N(C2=O)C2CC2)S)C(=NC(=NC1=O)O)O

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Molecular Weight: 523.57
Empirical Formula: C24H25N7O5S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 0.016
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 189
Number of rings: 6

     

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