COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL173062
Chemical Name: 2-amino-4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Smiles: COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])c1c2CCCCCCc2nc(c1C#N)N

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Molecular Weight: 458.52
Empirical Formula: C26H26N4O4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 6.517
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 126
Number of rings: 4

     

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