COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL178288
Chemical Name: (3aR,7aS)-2-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(c2cc(Oc3ccc(c(c3)C)Cl)cc(c2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1CCCC2

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Molecular Weight: 414.85
Empirical Formula: C21H19ClN2O5

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 4.726
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 92
Number of rings: 4

     

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