COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052911
Chemical Name: 4-[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: [O-]c1ccc(cc1)n1c(cn2c1[nH+]c1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1Cl)Cl

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Molecular Weight: 456.29
Empirical Formula: C21H15Cl2N5O3

Physical State: Dry powder
Available Amount: 303 mg

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

     

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