COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL178290
Chemical Name: (3aR,7aS)-2-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Smiles: Cc1ccc(c(c1)Oc1cc(cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)CCCC2)[N+](=O)[O-])C

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 4.587
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 92
Number of rings: 4

     

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