COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK724659
Chemical Name: 1'-(butan-2-yl)-3-nitro-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: CCC(N1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[O-])C

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Molecular Weight: 414.46
Empirical Formula: C21H26N4O5

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 4.801
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 4

     

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