COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK090633
Chemical Name: 1-[11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C(F)(F)F)cccc2)c1ccc(cc1)OC

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Molecular Weight: 677.12
Empirical Formula: C37H32ClF3N2O5

Physical State: Dry powder
Available Amount: 427 mg

Lipinsky:
logP: 9.488
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 6

     

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