COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK804510
Chemical Name: 8-[(1,3-benzodioxol-5-ylmethyl)amino]-1-(3,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1Cl)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)NCc1ccc2c(c1)OCO2

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Molecular Weight: 488.33
Empirical Formula: C22H19Cl2N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.609
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 5

     

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