COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL010955
Chemical Name: 3-nitro-1'-(prop-2-en-1-yl)-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: C=CCN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[O-]

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Molecular Weight: 398.42
Empirical Formula: C20H22N4O5

Available Amount: 0 mg

Lipinsky:
logP: 4.258
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 4

     

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