COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043007
Chemical Name: 2'-hydroxy-3-methyl-8-nitro-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: CN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N=C(N(C1=O)c1cccc(c1)C(F)(F)F)O

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Molecular Weight: 503.44
Empirical Formula: C23H20F3N5O5

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 3.514
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 122
Number of rings: 5

     

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