COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553191
Chemical Name: 3-benzyl-7-[2-(diethylammonio)ethyl]-6-hydroxy-2-oxo-3,7-dihydro-2H-purin-9-ium
Smiles: CC[NH+](CCn1c[nH+]c2c1c(O)nc(=O)n2Cc1ccccc1)CC

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Saltdata: 2 Cl-
Molecular Weight: 343.43
Empirical Formula: C18H25N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.912
Rotatable bonds: 7
H-donors: 3
H-acceptors: 2
PSA: 76
Number of rings: 3

     

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