COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL178494
Chemical Name: (3aR,7aS)-2-[3-(4-methoxyphenoxy)-5-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1)Oc1cc(cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)CCCC2)[N+](=O)[O-]

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Molecular Weight: 396.4
Empirical Formula: C21H20N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.082
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 101
Number of rings: 4

     

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