COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567460
Chemical Name: (8E)-1-(3-chlorobenzyl)-8-[(2E)-(2,4-dimethoxybenzylidene)hydrazinylidene]-3,7-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: COc1cc(OC)ccc1/C=N/N=c/1\[nH]c2c(n1C)c(=O)n(c(=O)n2C)Cc1cccc(c1)Cl

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Molecular Weight: 482.93
Empirical Formula: C23H23ClN6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.33
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 4

     

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