COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004177
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]-3-methylbutan-1-one
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CC(C)C)cccc2)c1ccc(cc1)OC

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Molecular Weight: 665.23
Empirical Formula: C40H41ClN2O5

Physical State: Dry powder
Available Amount: 411 mg

Lipinsky:
logP: 9.183
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 6

     

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