COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK781419
Chemical Name: 4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: COc1ccc(c(c1)[N+](=O)[O-])N1C2=C(C(=O)CCC2)C(C(=C1n1cccc1)C#N)c1ccc2c(c1)OCO2

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Molecular Weight: 510.51
Empirical Formula: C28H22N4O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.391
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 122
Number of rings: 6

     

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