COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183160
Chemical Name: 4-[(2-chloro-4-{(1E)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)methyl]benzoicacid
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)OC)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(cc1)Cl

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Molecular Weight: 497.33
Empirical Formula: C25H18Cl2N2O5

Physical State: Dry powder
Available Amount: 213 mg

Lipinsky:
logP: 6.32
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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