COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK387820
Chemical Name: (2Z)-2-{2-bromo-4-[(4-bromobenzyl)oxy]-5-methoxybenzylidene}-1-benzothiophen-3(2H)-one
Smiles: COc1cc(/C=C/2\Sc3c(C2=O)cccc3)c(cc1OCc1ccc(cc1)Br)Br

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Molecular Weight: 532.25
Empirical Formula: C23H16Br2O3S

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 7.112
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 60
Number of rings: 4

     

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