COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK633999
Chemical Name: (4aR,5R)-1'-tert-butyl-2'-hydroxy-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: CN1CCN2[C@@H](C1)[C@]1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N=C(N(C1=O)C(C)(C)C)O

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Molecular Weight: 415.45
Empirical Formula: C20H25N5O5

Physical State: Dry powder
Available Amount: 275 mg

Lipinsky:
logP: 2.418
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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