COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444663
Chemical Name: 2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoicacid
Smiles: OC(=O)C(Sc1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=O)n(c(=O)n2C)C)C

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Molecular Weight: 442.42
Empirical Formula: C18H17F3N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.673
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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