COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL238949
Chemical Name: 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: NCCNc1nc2c(n1Cc1ccc(c(c1)Cl)Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 397.26
Empirical Formula: C16H18Cl2N6O2

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 2.398
Rotatable bonds: 4
H-donors: 3
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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