COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK185243
Chemical Name: 4-[(4-{(1E)-3-[(3-chloro-4-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-iodo-6-methoxyphenoxy)methyl]benzoicacid
Smiles: N#C/C(=C\c1cc(I)c(c(c1)OC)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(c(c1)Cl)C

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Molecular Weight: 602.81
Empirical Formula: C26H20ClIN2O5

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.838
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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