COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK599136
Chemical Name: 1'-cyclopropyl-3-nitro-2'-sulfanyl-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: SC1=NC(=O)C2(C(=O)N1C1CC1)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[O-]

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Molecular Weight: 414.49
Empirical Formula: C20H22N4O4S

Physical State: Dry powder
Available Amount: 161 mg

Lipinsky:
logP: 3.741
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 137
Number of rings: 5

     

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