COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK783428
Chemical Name: 2-amino-1-(2-methyl-4-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1ccc(cc1C)[N+](=O)[O-]

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Molecular Weight: 451.46
Empirical Formula: C21H17N5O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.98
Rotatable bonds: 1
H-donors: 2
H-acceptors: 5
PSA: 190
Number of rings: 4

     

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