COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL439608
Chemical Name: 4,4'-(1,2,3-thiadiazol-4-ylmethanediyl)bis{2-[4-(ethoxycarbonyl)-1,3-thiazol-2-yl]-3-oxo-5-(trifluoromethyl)-2,3-dihydropyrazol-1-ide}
Smiles: CCOC(=O)c1csc(n1)n1[n-]c(c(c1=O)C(c1c(=O)n([n-]c1C(F)(F)F)c1scc(n1)C(=O)OCC)c1csnn1)C(F)(F)F

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Saltdata: 2Na+
Molecular Weight: 708.6
Empirical Formula: C23H14F6N8O6S3

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 6.293
Rotatable bonds: 9
H-donors: 0
H-acceptors: 6
PSA: 229
Number of rings: 5

     

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