COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK940892
Chemical Name: 8-bromo-7-{3-[(5-chloro-2-methoxyphenyl)amino]propyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: COc1ccc(cc1NCCCn1c(Br)nc2c1c(O)nc(=O)n2C)Cl

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Molecular Weight: 442.7
Empirical Formula: C16H17BrClN5O3

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.566
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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