COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL004764
Chemical Name: 7-(3,4-dichlorobenzyl)-8-{[2-(1H-indol-3-yl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1Cl)Cn1c(NCCc2c[nH]c3c2cccc3)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 497.38
Empirical Formula: C24H22Cl2N6O2

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 5.087
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 86
Number of rings: 5

     

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