COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK407842
Chemical Name: 3-(4-fluorophenyl)-7,8-dimethyl-11-(2-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: Fc1ccc(cc1)C1CC2=C(C(=O)C1)C(Nc1c(N2)cc(C)c(c1)C)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 457.5
Empirical Formula: C27H24FN3O3

Physical State: Dry powder
Available Amount: 198 mg

Lipinsky:
logP: 4.745
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 86
Number of rings: 5

     

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