COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK869824
Chemical Name: ethyl4-(2-methylpropyl)-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(csc1N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])CC(C)C

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Molecular Weight: 402.43
Empirical Formula: C19H18N2O6S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 4.152
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 137
Number of rings: 3

     

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