COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL571294
Chemical Name: 5-({4-[(3,4-dimethylphenyl)sulfanyl]phenyl}sulfonyl)-2-(3-nitrophenyl)-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)c2c1cc(cc2)S(=O)(=O)c1ccc(cc1)Sc1ccc(c(c1)C)C

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Molecular Weight: 544.61
Empirical Formula: C28H20N2O6S2

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 5.62
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 151
Number of rings: 5

     

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