COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK180322
Chemical Name: 4-{[4-{(1E)-2-cyano-3-[(2,3-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]methyl}benzoicacid
Smiles: C=CCc1cc(/C=C(/C(=O)Nc2cccc(c2Cl)Cl)\C#N)cc(c1OCc1ccc(cc1)C(=O)O)OC

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Molecular Weight: 537.4
Empirical Formula: C28H22Cl2N2O5

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 6.853
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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