COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL234691
Chemical Name: (6E)-6-[3-bromo-4-(dimethylamino)benzylidene]-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)Br)N(C)C)/C2=N)s1

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Molecular Weight: 503.42
Empirical Formula: C21H23BrN6O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.197
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 117
Number of rings: 4

     

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