COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK311421
Chemical Name: (3aR,7aS)-2-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]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-])c(c(c1)C)C

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Molecular Weight: 408.45
Empirical Formula: C23H24N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.047
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 92
Number of rings: 4

     

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