COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK403365
Chemical Name: 3-(3-methoxyphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1cccc(c1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 441.49
Empirical Formula: C26H23N3O4

Physical State: Dry powder
Available Amount: 197 mg

Lipinsky:
logP: 3.688
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 96
Number of rings: 5

     

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