COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL225065
Chemical Name: (6E)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccc(cc1Br)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1

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Molecular Weight: 475.41
Empirical Formula: C21H23BrN4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.545
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 103
Number of rings: 4

     

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