COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK763030
Chemical Name: 2-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CSc1nnc(s1)N1C(=O)c2c(C1=O)cccc2)[N+](=O)[O-]

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Molecular Weight: 428.45
Empirical Formula: C18H12N4O5S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.69
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 171
Number of rings: 4

     

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