COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049924
Chemical Name: 3-nitro-2'-thioxo-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H,3'H)-dione
Smiles: S=C1NC(=O)C2(C(=O)N1)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[O-]

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Molecular Weight: 374.42
Empirical Formula: C17H18N4O4S

Physical State: Dry powder
Available Amount: 279 mg

Lipinsky:
logP: 3.785
Rotatable bonds: 0
H-donors: 2
H-acceptors: 4
PSA: 139
Number of rings: 4

     

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