COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK089293
Chemical Name: 1-(11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-1-hydroxy-3-phenyl-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)c1ccccc1

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Molecular Weight: 647.09
Empirical Formula: C36H30ClF3N2O4

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 9.572
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 6

     

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