COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL177996
Chemical Name: {7-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}(5-ethylthiophen-2-yl)methanone
Smiles: COc1cc(ccc1OC(F)F)C1C(=C(Nc2n1ncn2)C(F)(F)F)C(=O)c1ccc(s1)CC

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Molecular Weight: 500.45
Empirical Formula: C21H17F5N4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.066
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 4

     

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