COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL331797
Chemical Name: 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl2,3-dihydro-1,4-benzodioxine-2-carboxylate
Smiles: N#C/C(=C/c1ccc(c(c1)OC)OC(=O)C1COc2c(O1)cccc2)/c1ccc(cc1)Cl

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Molecular Weight: 447.87
Empirical Formula: C25H18ClNO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.622
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 77
Number of rings: 4

     

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