COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050652
Chemical Name: 4-(2-{[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]amino}ethyl)phenolate
Smiles: [O-]c1ccc(cc1)CCNc1[nH+]c2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 474.35
Empirical Formula: C22H21Cl2N5O3

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.564
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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