COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK116038
Chemical Name: 2-tert-butyl-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-2-methyl-1,3-dioxane-4,6-dione
Smiles: CC(C1(C)OC(=O)/C(=C/c2ccc(o2)c2cc(ccc2Cl)[N+](=O)[O-])/C(=O)O1)(C)C

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Molecular Weight: 419.82
Empirical Formula: C20H18ClNO7

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 3.569
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 111
Number of rings: 3

     

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