COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK309253
Chemical Name: 4,5-dimethoxy-2-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1c(OC)ccc2c1C(=O)N(C2=O)c1cc(OCC(F)(F)F)cc(c1)[N+](=O)[O-]

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Molecular Weight: 426.31
Empirical Formula: C18H13F3N2O7

Physical State: Dry powder
Available Amount: 31 mg

Lipinsky:
logP: 3.05
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 110
Number of rings: 3

     

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