COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054228
Chemical Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Fc1ccc(cc1)/C=N/Nc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(O)nc(=O)n2C

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Molecular Weight: 486.89
Empirical Formula: C22H20ClFN6O4

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.463
Rotatable bonds: 7
H-donors: 3
H-acceptors: 4
PSA: 124
Number of rings: 4

     

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