COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169424
Chemical Name: 3,3-dimethyl-11-(5-nitrofuran-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccc1)c1ccc(o1)[N+](=O)[O-]

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Molecular Weight: 353.38
Empirical Formula: C19H19N3O4

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 1.972
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 100
Number of rings: 4

     

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