COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK258047
Chemical Name: 3,3-dimethyl-2-oxobutyl2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Smiles: O=C(C(C)(C)C)COC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cc(ccc1Cl)C(F)(F)F

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Molecular Weight: 467.83
Empirical Formula: C22H17ClF3NO5

Physical State: Dry powder
Available Amount: 762 mg

Lipinsky:
logP: 4.611
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 80
Number of rings: 3

     

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