COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL020930
Chemical Name: ethyl2-({(2Z)-2-cyano-3-[4-(octyloxy)phenyl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCCCCCCOc1ccc(cc1)/C=C(\C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)/C#N

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Molecular Weight: 508.68
Empirical Formula: C29H36N2O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 10.677
Rotatable bonds: 11
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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