COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK311245
Chemical Name: (3aR,7aS)-2-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Smiles: Cc1cc(Oc2cc(cc(c2)N2C(=O)[C@@H]3[C@H](C2=O)CCCC3)[N+](=O)[O-])cc(c1)C

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Physical State: Dry powder
Available Amount: 28 mg

Lipinsky:
logP: 4.587
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 92
Number of rings: 4

     

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