COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK403424
Chemical Name: 3-(4-ethoxy-3-methoxyphenyl)-11-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(OC)c(c(c1)[N+](=O)[O-])O

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Molecular Weight: 531.57
Empirical Formula: C29H29N3O7

Physical State: Dry powder
Available Amount: 169 mg

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

     

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