COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK031866
Chemical Name: 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCOc1cc(cc(c1OC)Br)C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(C)C)C

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Molecular Weight: 499.45
Empirical Formula: C26H31BrN2O3

Physical State: Dry powder
Available Amount: 216 mg

Lipinsky:
logP: 5.291
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 59
Number of rings: 4

     

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