COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK410935
Chemical Name: (2E)-4-[(3-ethylphenyl)amino]-4-oxobut-2-enoicacid
Smiles: CCc1cccc(c1)NC(=O)/C=C/C(=O)O

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Molecular Weight: 219.24
Empirical Formula: C12H13NO3

Physical State: Dry powder
Available Amount: 238 mg

Lipinsky:
logP: 2.304
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 66
Number of rings: 1

     

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