COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870409
Chemical Name: 5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Smiles: COc1c(CC2ON=C(C2)C(=O)[O-])c(Br)c(c2c1OCO2)OC

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Saltdata: Na+
Molecular Weight: 387.16
Empirical Formula: C14H13BrNO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.827
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 98
Number of rings: 3

     

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