COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL559311
Chemical Name: 2-{5-[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4-hydroxy-6-oxo-2-thioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]-2-methoxybenzyl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C/1\C(=NC(=S)N(C1=O)CCC1=CCCCC1)O

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Molecular Weight: 529.62
Empirical Formula: C29H27N3O5S

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 5.496
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 5

     

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