COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076944
Chemical Name: 1-[11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CC(C)C)cccc2)c1ccc(cc1)C

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Molecular Weight: 649.23
Empirical Formula: C40H41ClN2O4

Physical State: Dry powder
Available Amount: 421 mg

Lipinsky:
logP: 9.728
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 6

     

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