COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK025768
Chemical Name: 8-({3-[(4-chloro-2-nitrophenyl)amino]propyl}amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])NCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 421.84
Empirical Formula: C17H20ClN7O4

Physical State: Dry powder
Available Amount: 161 mg

Lipinsky:
logP: 3.299
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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