COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK572695
Chemical Name: 4-{(6E)-5-iminio-7-oxo-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}phenolate
Smiles: [O-]c1ccc(cc1)c1nn2c(=NC(=O)/C(=C/c3coc4c(c3=O)cccc4)/C2=[NH2+])s1

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Molecular Weight: 416.42
Empirical Formula: C21H12N4O4S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 0.397
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 5

     

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