COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK363854
Chemical Name: 3,3,7,8-tetramethyl-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)cc(c(c1)C)C)c1ccc(o1)[N+](=O)[O-]

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Molecular Weight: 381.43
Empirical Formula: C21H23N3O4

Physical State: Dry powder
Available Amount: 551 mg

Lipinsky:
logP: 2.893
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 100
Number of rings: 4

     

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