COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL336859
Chemical Name: 8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: O=C1C2C(C(=O)N1c1ccc(cc1)[N+](=O)[O-])C1C(=C3CCCCC3)C2C=C1

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Molecular Weight: 364.4
Empirical Formula: C21H20N2O4

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.348
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 83
Number of rings: 5

     

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