COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL120456
Chemical Name: dimethyl2-{[(7-bromo-1-benzoxepin-4-yl)carbonyl]amino}benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)C1=Cc2cc(Br)ccc2OC=C1)C(=O)OC

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Molecular Weight: 458.27
Empirical Formula: C21H16BrNO6

Physical State: Dry powder
Available Amount: 39 mg

Lipinsky:
logP: 5.977
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 90
Number of rings: 3

     

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