COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK409577
Chemical Name: ethyl4-(5-{(1E)-3-[(1,3-benzodioxol-5-ylmethyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)NCc1ccc2c(c1)OCO2)\C#N

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Molecular Weight: 444.44
Empirical Formula: C25H20N2O6

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.768
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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