COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085898
Chemical Name: 5-[(3,4-dimethylphenoxy)methyl]-3-(2-oxo-2-phenylethyl)-1,3,4-thiadiazol-2(3H)-iminium
Smiles: O=C(c1ccccc1)Cn1nc(sc1=[NH2+])COc1ccc(c(c1)C)C

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Saltdata: Br-
Molecular Weight: 354.45
Empirical Formula: C19H20N3O2S

Physical State: Dry powder
Available Amount: 252 mg

Lipinsky:
logP: 2.681
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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