COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL225012
Chemical Name: (6E)-6-[4-(diethylamino)benzylidene]-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCC(c1sc2=NC(=O)/C(=C/c3ccc(cc3)N(CC)CC)/C(=N)n2n1)CC

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Molecular Weight: 397.54
Empirical Formula: C21H27N5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.355
Rotatable bonds: 5
H-donors: 1
H-acceptors: 1
PSA: 97
Number of rings: 3

     

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