COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK801301
Chemical Name: ethyl2-({(2E)-3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOc1cc(ccc1OCc1ccccc1)/C=C(/C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)\C#N

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Molecular Weight: 530.64
Empirical Formula: C30H30N2O5S

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 9.026
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 4

     

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