COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472738
Chemical Name: ethyl4-{5-[(1E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)Nc1ccc2c(c1)OCCO2)\C#N

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Molecular Weight: 444.44
Empirical Formula: C25H20N2O6

Physical State: Dry powder
Available Amount: 388 mg

Lipinsky:
logP: 5.237
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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