COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK081409
Chemical Name: 7-(4-chlorobenzyl)-8-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)/C(=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C)/C

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Molecular Weight: 452.9
Empirical Formula: C22H21ClN6O3

Physical State: Dry powder
Available Amount: 356 mg

Lipinsky:
logP: 3.915
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 100
Number of rings: 4

     

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