COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001132
Chemical Name: 3-(4-fluorophenyl)-11-(3-nitrophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: Fc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3NC2c2cccc(c2)[N+](=O)[O-])C1)O

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Molecular Weight: 429.45
Empirical Formula: C25H20FN3O3

Physical State: Dry powder
Available Amount: 357 mg

Lipinsky:
logP: 4.338
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 90
Number of rings: 5

     

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