COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK364175
Chemical Name: 11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCOc1cc(cc(c1O)[N+](=O)[O-])C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(C)C)C

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Molecular Weight: 451.52
Empirical Formula: C25H29N3O5

Physical State: Dry powder
Available Amount: 152 mg

Lipinsky:
logP: 4.362
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 116
Number of rings: 4

     

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