COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK595861
Chemical Name: 4-[(6E)-6-(3,4-dimethoxybenzylidene)-5-iminio-7-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenolate
Smiles: COc1cc(ccc1OC)/C=C\1/C(=O)N=c2n(C1=[NH2+])nc(s2)c1ccc(cc1)[O-]

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Molecular Weight: 408.44
Empirical Formula: C20H16N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.687
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 137
Number of rings: 4

     

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