COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512662
Chemical Name: 4-(3,4-dimethoxyphenyl)-4-{[(4-nitrobenzyl)amino]methyl}cyclohexanol
Smiles: COc1ccc(cc1OC)C1(CNCc2ccc(cc2)[N+](=O)[O-])CCC(CC1)O

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Saltdata: HCl
Molecular Weight: 400.47
Empirical Formula: C22H28N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.515
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 96
Number of rings: 3

     

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