COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028319
Chemical Name: 3-(4-methoxyphenyl)-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 441.49
Empirical Formula: C26H23N3O4

Physical State: Dry powder
Available Amount: 515 mg

Lipinsky:
logP: 3.688
Rotatable bonds: 0
H-donors: 2
H-acceptors: 4
PSA: 96
Number of rings: 5

     

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