COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK403458
Chemical Name: 11-(6-nitro-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1c(OC)cc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 545.55
Empirical Formula: C29H27N3O8

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 3.483
Rotatable bonds: 3
H-donors: 2
H-acceptors: 8
PSA: 133
Number of rings: 6

     

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