COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL012859
Chemical Name: (2E)-4-(benzylamino)-4-oxobut-2-enoicacid
Smiles: O=C(/C=C\C(=O)O)NCc1ccccc1

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Molecular Weight: 205.21
Empirical Formula: C11H11NO3

Physical State: Dry powder
Available Amount: 21771 mg

Lipinsky:
logP: 0.929
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 66
Number of rings: 1

     

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