COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000206
Chemical Name: 8-(azepan-1-yl)-7-(3-chloro-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: ClCC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCCC1)O

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Molecular Weight: 355.82
Empirical Formula: C15H22ClN5O3

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 0.785
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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