COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868797
Chemical Name: methyl4-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
Smiles: CCCCC1(C)OC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)C(=O)OC)/C(=O)O1

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Molecular Weight: 398.41
Empirical Formula: C22H22O7

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 3.738
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 92
Number of rings: 3

     

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