COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700097
Chemical Name: diethyl2,5-bis(phenylethynyl)benzene-1,4-dicarboxylate
Smiles: CCOC(=O)c1cc(C#Cc2ccccc2)c(cc1C#Cc1ccccc1)C(=O)OCC

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Molecular Weight: 422.48
Empirical Formula: C28H22O4

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 8.66
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 52
Number of rings: 3

     

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