COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780734
Chemical Name: 4-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 480.48
Empirical Formula: C27H20N4O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.007
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 113
Number of rings: 6

     

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