COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK781189
Chemical Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(n2cccc2)N(C2=C(C1c1cccnc1)C(=O)CCC2)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 505.46
Empirical Formula: C26H18F3N5O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.325
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 107
Number of rings: 5

     

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