COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL508068
Chemical Name: methyl2-(5-{(1E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoate
Smiles: N#C/C(=C\c1ccc(o1)c1ccccc1C(=O)OC)/C(=O)Nc1ccc(c(c1)C)C

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Molecular Weight: 400.43
Empirical Formula: C24H20N2O4

Physical State: Dry powder
Available Amount: 996 mg

Lipinsky:
logP: 5.392
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 3

     

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