COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK155965
Chemical Name: 2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Smiles: CCSc1nnc(s1)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 428.45
Empirical Formula: C18H12N4O5S2

Physical State: Dry powder
Available Amount: 107 mg

Lipinsky:
logP: 4.345
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 171
Number of rings: 4

     

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