COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057794
Chemical Name: 5-(4-tert-butylphenyl)-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,3,4-thiadiazol-2(3H)-iminium
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Cn1nc(sc1=[NH2+])c1ccc(cc1)C(C)(C)C

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Saltdata: Br-
Molecular Weight: 397.48
Empirical Formula: C20H21N4O3S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 3.41
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 129
Number of rings: 3

     

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