COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK956822
Chemical Name: (2Z)-2-[3-methoxy-4-(3-methylbutoxy)benzylidene]-1-benzothiophen-3(2H)-one
Smiles: COc1cc(ccc1OCCC(C)C)/C=C/1\Sc2c(C1=O)cccc2

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Molecular Weight: 354.47
Empirical Formula: C21H22O3S

Physical State: Dry powder
Available Amount: 31 mg

Lipinsky:
logP: 5.475
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 60
Number of rings: 3

     

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