COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432998
Chemical Name: 5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
Smiles: [O-][N+](=O)c1cc(ccc1N1CCN(CC1)c1nc2ccccc2c2n1cnn2)C(F)(F)F

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Molecular Weight: 443.39
Empirical Formula: C20H16F3N7O2

Physical State: Dry powder
Available Amount: 445 mg

Lipinsky:
logP: 4.074
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 95
Number of rings: 5

     

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