COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK433645
Chemical Name: (2E)-4-[(2-ethylhexyl)amino]-4-oxobut-2-enoicacid
Smiles: CCCCC(CNC(=O)/C=C/C(=O)O)CC

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Molecular Weight: 227.3
Empirical Formula: C12H21NO3

Physical State: Dry powder
Available Amount: 359 mg

Lipinsky:
logP: 2.565
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 66
Number of rings: 0

     

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