COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK008754
Chemical Name: 2-({(2E)-3-[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-cyanoprop-2-enoyl}amino)benzoicacid
Smiles: C#CCOc1c(Cl)cc(cc1OC)/C=C(/C(=O)Nc1ccccc1C(=O)O)\C#N

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Molecular Weight: 410.81
Empirical Formula: C21H15ClN2O5

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 4.832
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 2

     

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