COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK600908
Chemical Name: 1-[1-hydroxy-3,3-dimethyl-11-(5-nitrofuran-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
Smiles: OC1=C2C(=Nc3c(N(C2c2ccc(o2)[N+](=O)[O-])C(=O)C)cccc3)CC(C1)(C)C

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Molecular Weight: 395.41
Empirical Formula: C21H21N3O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.268
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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