COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK370407
Chemical Name: (2E)-4-[(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-oxobut-2-enoicacid
Smiles: OC(=O)/C=C/C(=O)Nc1cc2OCCOc2cc1Br

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Molecular Weight: 328.12
Empirical Formula: C12H10BrNO5

Physical State: Dry powder
Available Amount: 459 mg

Lipinsky:
logP: 2.421
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 2

     

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