COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK069866
Chemical Name: 2-{[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(c1O)I

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Molecular Weight: 452.32
Empirical Formula: C18H17IN2O2S

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 5.618
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 93
Number of rings: 3

     

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