COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535453
Chemical Name: 8-[(2E)-2-(3-chloro-4-hydroxy-5-methoxybenzylidene)hydrazinyl]-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCn1c(N/N=C/c2cc(Cl)c(c(c2)OC)O)nc2c1c(=O)n(c(=O)n2C)C

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Saltdata: 0,1DMF
Molecular Weight: 422.83
Empirical Formula: C17H19ClN6O5

Physical State: Dry powder
Available Amount: 248 mg

Lipinsky:
logP: 2.209
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 132
Number of rings: 3

     

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