COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK582277
Chemical Name: 1'-(2,2-dimethoxyethyl)-1-hexyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Smiles: CCCCCCN1C(=O)NC(=O)C2(C1=O)CN(CC(OC)OC)c1c(C2)cc(cc1)[N+](=O)[O-]

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Molecular Weight: 462.5
Empirical Formula: C22H30N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.364
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 134
Number of rings: 3

     

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