COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK781168
Chemical Name: 1-(2-methyl-5-nitrophenyl)-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(n2cccc2)N(C2=C(C1c1ccc(s1)C)C(=O)CCC2)c1cc(ccc1C)[N+](=O)[O-]

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Molecular Weight: 470.55
Empirical Formula: C26H22N4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.744
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 123
Number of rings: 5

     

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