COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK311505
Chemical Name: 2-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Smiles: O=C1N(c2cc(Oc3ccc(c(c3)C)Cl)cc(c2)[N+](=O)[O-])C(=O)C2C1C1CCC2O1

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Molecular Weight: 428.83
Empirical Formula: C21H17ClN2O6

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 3.63
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 101
Number of rings: 5

     

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