COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK280788
Chemical Name: 2-({(E)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}amino)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Smiles: O=C1N(/N=C/c2ccc(o2)c2ccc(cc2Br)[N+](=O)[O-])C(=O)C2C1C1CCC2C=C1

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Molecular Weight: 470.28
Empirical Formula: C21H16BrN3O5

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 2.611
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 108
Number of rings: 6

     

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