COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054644
Chemical Name: 3-(5-{(Z)-[5-iminio-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate
Smiles: CCC(c1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)C(=O)[O-])/C2=[NH2+])s1)CC

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Molecular Weight: 436.49
Empirical Formula: C22H20N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.056
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 149
Number of rings: 4

     

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