COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL326999
Chemical Name: (2Z,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioate
Smiles: [O-]C(=O)/C=C(\C(=C/c1ccc(cc1)Br)\C(=O)[O-])/C

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Saltdata: 2Na+
Molecular Weight: 309.12
Empirical Formula: C13H9BrO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.392
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 80
Number of rings: 1

     

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