COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL225062
Chemical Name: (6E)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-(2-cyclohexylethyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)Cc1ccccc1)C)CCC1CCCCC1

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Molecular Weight: 473.64
Empirical Formula: C27H31N5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.39
Rotatable bonds: 5
H-donors: 1
H-acceptors: 1
PSA: 99
Number of rings: 5

     

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