COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK280783
Chemical Name: 2-{[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Smiles: Brc1cc(/C=N/N2C(=O)C3C(C2=O)C2CCC3C=C2)c(c(c1)[N+](=O)[O-])O

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Molecular Weight: 420.22
Empirical Formula: C17H14BrN3O5

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 3.428
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 5

     

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