COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK100628
Chemical Name: trimethyl(1Z,3E)-3-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)prop-1-ene-1,2,3-tricarboxylate
Smiles: COC(=O)/C(=c\1/[nH]c2ccccc2[nH]c1=O)/C(=C/C(=O)OC)/C(=O)OC

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Molecular Weight: 360.32
Empirical Formula: C17H16N2O7

Physical State: Dry powder
Available Amount: 449 mg

Lipinsky:
logP: -0.162
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 120
Number of rings: 2

     

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