COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028103
Chemical Name: dimethyl2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)OC

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Molecular Weight: 383.36
Empirical Formula: C20H17NO7

Physical State: Dry powder
Available Amount: 717 mg

Lipinsky:
logP: 5.58
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 100
Number of rings: 3

     

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