COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK156358
Chemical Name: 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Smiles: O=C(c1ccc2c(c1)C(=O)N(C2=O)C(C)(C)C)Nc1ccc(cc1Cl)[N+](=O)[O-]

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Molecular Weight: 401.81
Empirical Formula: C19H16ClN3O5

Physical State: Dry powder
Available Amount: 79 mg

Lipinsky:
logP: 3.878
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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