COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL322635
Chemical Name: 8-[(6-aminohexyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: NCCCCCCNc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

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Saltdata: HCl
Molecular Weight: 418.93
Empirical Formula: C20H27ClN6O2

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 3.206
Rotatable bonds: 8
H-donors: 3
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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