COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK014263
Chemical Name: 3,3-dimethyl-11-[5-(2-nitrophenyl)furan-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)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 429.48
Empirical Formula: C25H23N3O4

Physical State: Dry powder
Available Amount: 458 mg

Lipinsky:
logP: 3.908
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 100
Number of rings: 5

     

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