COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172611
Chemical Name: 2-amino-1-(4-fluoro-3-nitrophenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2ccc(c(c2)[N+](=O)[O-])F)C2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CCC2

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Molecular Weight: 493.41
Empirical Formula: C23H16FN5O7

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.994
Rotatable bonds: 1
H-donors: 2
H-acceptors: 7
PSA: 180
Number of rings: 5

     

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