COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL411715
Chemical Name: 9-ethyl-N-(3-nitrophenyl)-2-(octahydroisoquinolin-2(1H)-yl)-9H-purin-6-amine
Smiles: CCn1cnc2c1nc(nc2Nc1cccc(c1)[N+](=O)[O-])N1CCC2C(C1)CCCC2

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Molecular Weight: 421.5
Empirical Formula: C22H27N7O2

Physical State: Dry powder
Available Amount: 29 mg

Lipinsky:
logP: 3.592
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 104
Number of rings: 5

     

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