COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK691916
Chemical Name: 8-({2-[5-(4-chlorophenyl)-2H-tetrazol-2-yl]ethyl}sulfanyl)-7-(2-ethylhexyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCC(Cn1c(SCCn2nnc(n2)c2ccc(cc2)Cl)nc2c1c(=O)n(c(=O)n2C)C)CC

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Molecular Weight: 531.08
Empirical Formula: C24H31ClN8O2S

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 7.132
Rotatable bonds: 10
H-donors: 0
H-acceptors: 2
PSA: 127
Number of rings: 4

     

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