COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013632
Chemical Name: 10-acetyl-3-(4-methoxyphenyl)-11-(3-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)Nc1ccccc1N(C2c1cccc(c1)[N+](=O)[O-])C(=O)C

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Molecular Weight: 483.52
Empirical Formula: C28H25N3O5

Physical State: Dry powder
Available Amount: 293 mg

Lipinsky:
logP: 4.121
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 104
Number of rings: 5

     

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