COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055989
Chemical Name: 3-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl4-nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Oc1cccc(c1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)(C)C

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Molecular Weight: 483.52
Empirical Formula: C28H25N3O5

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 4.744
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 113
Number of rings: 5

     

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