COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505957
Chemical Name: [2-(4-chloro-2-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methanediyldiacetate
Smiles: CC(=O)OC(C12C=CC(O1)C1C2C(=O)N(C1=O)c1ccc(cc1[N+](=O)[O-])Cl)OC(=O)C

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Molecular Weight: 450.79
Empirical Formula: C19H15ClN2O9

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 2.172
Rotatable bonds: 5
H-donors: 0
H-acceptors: 9
PSA: 145
Number of rings: 4

     

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