COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL325381
Chemical Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-2-phenyl-1H-indene-1,3(2H)-dione
Smiles: COc1cc(ccc1OC)C(C1(c2ccccc2)C(=O)c2c(C1=O)cccc2)C[N+](=O)[O-]

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Molecular Weight: 431.44
Empirical Formula: C25H21NO6

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 5.374
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 98
Number of rings: 4

     

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