COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL020762
Chemical Name: (2Z)-4-[(4-methylbenzyl)amino]-4-oxobut-2-enoicacid
Smiles: O=C(/C=C\C(=O)O)NCc1ccc(cc1)C

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Molecular Weight: 219.24
Empirical Formula: C12H13NO3

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 1.389
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 66
Number of rings: 1

     

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