COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL405547
Chemical Name: 2,4-bis{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-azabicyclo[3.3.1]nonan-9-one
Smiles: COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])C1NC(c2ccc(c(c2)Cn2ncc(c2)[N+](=O)[O-])OC)C2C(=O)C1CCC2

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Molecular Weight: 601.62
Empirical Formula: C30H31N7O7

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 3.109
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 174
Number of rings: 6

     

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