COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040998
Chemical Name: 2-chloro-4-(1,3-dimethyl-2,4-dioxo-8-phenyl-2,3,4,8-tetrahydro-1H-imidazo[2,1-f]purin-9-ium-7-yl)phenolate
Smiles: [O-]c1ccc(cc1Cl)c1cn2c(n1c1ccccc1)[nH+]c1c2c(=O)n(C)c(=O)n1C

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Molecular Weight: 421.84
Empirical Formula: C21H16ClN5O3

Physical State: Dry powder
Available Amount: 328 mg

Lipinsky:
logP: 3.603
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 5

     

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