COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK026111
Chemical Name: 4-[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]-4-oxobutanoicacid
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CCC(=O)O)cccc2)c1ccc(cc1)C

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Molecular Weight: 665.19
Empirical Formula: C39H37ClN2O6

Physical State: Dry powder
Available Amount: 334 mg

Lipinsky:
logP: 8.124
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 108
Number of rings: 6

     

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