COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL024423
Chemical Name: (2Z)-4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobut-2-enoicacid
Smiles: O=C(NCc1ccc2c(c1)OCO2)/C=C\C(=O)O

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Molecular Weight: 249.22
Empirical Formula: C12H11NO5

Physical State: Dry powder
Available Amount: 148 mg

Lipinsky:
logP: 0.791
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 2

     

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