COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL387407
Chemical Name: 2-{[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: CCOc1cc(/C=N/N2C(=O)C3C(C2=O)C2CC3C=C2)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 371.35
Empirical Formula: C18H17N3O6

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 2.348
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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