COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040605
Chemical Name: 2-(5-{(E)-[1-(4-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2,4-dimethoxybenzyl)-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc(OC)c(cc1/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)CN1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 545.94
Empirical Formula: C28H20ClN3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.204
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 125
Number of rings: 5

     

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