COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055129
Chemical Name: 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1n(Cc2ccc(cc2)[N+](=O)[O-])c(=O)c2c(n1C)nc(n2C)NC1CCCC1

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Molecular Weight: 398.42
Empirical Formula: C19H22N6O4

Physical State: Dry powder
Available Amount: 261 mg

Lipinsky:
logP: 3.131
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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