COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK796740
Chemical Name: 5-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-2-chlorobenzoicacid
Smiles: CCCCC1(C)OC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C(=O)O1

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Molecular Weight: 418.83
Empirical Formula: C21H19ClO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.85
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 103
Number of rings: 3

     

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