COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK072379
Chemical Name: 3-(4-ethoxy-3-methoxyphenyl)-11-(2-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccc1[N+](=O)[O-]

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Molecular Weight: 485.54
Empirical Formula: C28H27N3O5

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 4.041
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 105
Number of rings: 5

     

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