COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK423512
Chemical Name: (2E)-4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-oxobut-2-enoicacid
Smiles: CC(=O)c1cc2OCOc2cc1NC(=O)/C=C/C(=O)O

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Molecular Weight: 277.23
Empirical Formula: C13H11NO6

Physical State: Dry powder
Available Amount: 841 mg

Lipinsky:
logP: 1.635
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 101
Number of rings: 2

     

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