COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380517
Chemical Name: 2-({(2E)-2-cyano-3-[3,5-dibromo-4-(prop-2-en-1-yloxy)phenyl]prop-2-enoyl}amino)benzoicacid
Smiles: C=CCOc1c(Br)cc(cc1Br)/C=C(/C(=O)Nc1ccccc1C(=O)O)\C#N

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Molecular Weight: 506.15
Empirical Formula: C20H14Br2N2O4

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 6.15
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 2

     

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