COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK026700
Chemical Name: 5-[(3,4-dimethylphenoxy)methyl]-3-[2-oxo-2-(thiophen-2-yl)ethyl]-1,3,4-thiadiazol-2(3H)-iminium
Smiles: O=C(c1cccs1)Cn1nc(sc1=[NH2+])COc1ccc(c(c1)C)C

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Saltdata: Br-
Molecular Weight: 360.48
Empirical Formula: C17H18N3O2S2

Physical State: Dry powder
Available Amount: 470 mg

Lipinsky:
logP: 2.269
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 3

     

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