COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052769
Chemical Name: [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](3,4,5-trimethoxyphenyl)methanone
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1cc(OC)c(c(c1)OC)OC)cccc2)c1ccc(cc1)OC

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Molecular Weight: 775.3
Empirical Formula: C45H43ClN2O8

Physical State: Dry powder
Available Amount: 357 mg

Lipinsky:
logP: 9.833
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 108
Number of rings: 7

     

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