COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040656
Chemical Name: 3-(3,4-dimethoxyphenyl)-11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCOc1cc(cc(c1O)[N+](=O)[O-])C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(c(c1)OC)OC

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Molecular Weight: 531.57
Empirical Formula: C29H29N3O7

Physical State: Dry powder
Available Amount: 646 mg

Lipinsky:
logP: 3.811
Rotatable bonds: 7
H-donors: 3
H-acceptors: 7
PSA: 134
Number of rings: 5

     

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