COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041007
Chemical Name: 2-[7-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-9-ium-8-yl]phenolate
Smiles: Clc1ccc(c(c1)Cl)c1cn2c(n1c1ccccc1[O-])[nH+]c1c2c(=O)n(C)c(=O)n1C

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Molecular Weight: 456.29
Empirical Formula: C21H15Cl2N5O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.176
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 5

     

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