COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK740151
Chemical Name: ethyl4-(4-chlorophenyl)-2-({(2E)-2-cyano-3-[4-(pentyloxy)phenyl]prop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: CCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1scc(c1C(=O)OCC)c1ccc(cc1)Cl)\C#N

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Molecular Weight: 523.05
Empirical Formula: C28H27ClN2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.425
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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