COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK037607
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]hexan-1-one
Smiles: CCCCCC(=O)N1C(c2ccc(c(c2)OCC)OCc2ccc(cc2)Cl)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccc(cc1)C

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Molecular Weight: 663.26
Empirical Formula: C41H43ClN2O4

Physical State: Dry powder
Available Amount: 654 mg

Lipinsky:
logP: 10.443
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 6

     

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