COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK728356
Chemical Name: 2-{[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Smiles: COc1cc(/C=N/N2C(=O)C3C(C2=O)C2CCC3C=C2)ccc1OCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 461.47
Empirical Formula: C25H23N3O6

Physical State: Dry powder
Available Amount: 72 mg

Lipinsky:
logP: 3.544
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 114
Number of rings: 6

     

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