COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK739781
Chemical Name: ethyl2-({(2E)-2-cyano-3-[4-(pentyloxy)phenyl]prop-2-enoyl}amino)-4-(4-methoxyphenyl)thiophene-3-carboxylate
Smiles: CCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1scc(c1C(=O)OCC)c1ccc(cc1)OC)\C#N

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Molecular Weight: 518.63
Empirical Formula: C29H30N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.67
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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