COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179182
Chemical Name: 4-[(4-{(1E)-2-cyano-3-[(3,5-dimethylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoicacid
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1cc(C)cc(c1)C

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Molecular Weight: 456.5
Empirical Formula: C27H24N2O5

Physical State: Dry powder
Available Amount: 132 mg

Lipinsky:
logP: 5.463
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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