COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK082108
Chemical Name: 2-[2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-4-nitro-1H-isoindole-1,3(2H)-dione
Smiles: S=c1ssc2c1c1ccccc1N(C2(C)C)C(=O)CN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]

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Molecular Weight: 497.58
Empirical Formula: C22H15N3O5S3

Physical State: Dry powder
Available Amount: 681 mg

Lipinsky:
logP: 5.706
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 186
Number of rings: 5

     

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