COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK516328
Chemical Name: methyl(2E)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Smiles: COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/O2

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Molecular Weight: 391.34
Empirical Formula: C21H13NO7

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 4.697
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 111
Number of rings: 4

     

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