COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000221
Chemical Name: 3-[9-{3-iodo-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]propanoicacid
Smiles: COc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])I)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)CC(C2)(C)C)CCC(=O)O

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Molecular Weight: 728.58
Empirical Formula: C34H37IN2O8

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.776
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 138
Number of rings: 5

     

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