COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780308
Chemical Name: 1'-methyl-3-nitro-3'-propyl-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: CCCN1C(=O)N(C)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[O-]

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Molecular Weight: 414.46
Empirical Formula: C21H26N4O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.151
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 106
Number of rings: 4

     

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