COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK115713
Chemical Name: 3-{5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-4-chlorobenzoicacid
Smiles: OC(=O)c1ccc(c(c1)c1ccc(o1)/C=C/1\C(=O)OC(OC1=O)(C)C(C)(C)C)Cl

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Molecular Weight: 418.83
Empirical Formula: C21H19ClO7

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 4.003
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 103
Number of rings: 3

     

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