COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK182292
Chemical Name: 4-[(4-{(1E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoicacid
Smiles: N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccccc1C

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Molecular Weight: 412.44
Empirical Formula: C25H20N2O4

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 5.122
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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