COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL238185
Chemical Name: ethyl(2E)-3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]but-2-enoate
Smiles: CCOC(=O)/C=C(/Nc1sc2c(c1C#N)CCCCC2)\C

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Molecular Weight: 304.41
Empirical Formula: C16H20N2O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.334
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 90
Number of rings: 2

     

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