COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552906
Chemical Name: (1S,9aS)-5-methyl-1-({[(2E,4E)-3-methyl-5-(naphthalen-2-yl)penta-2,4-dienoyl]oxy}methyl)octahydro-2H-quinolizinium
Smiles: O=C(/C=C(/C=C/c1ccc2c(c1)cccc2)\C)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C

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Saltdata: I-
Molecular Weight: 404.57
Empirical Formula: C27H34NO2

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 2.286
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 26
Number of rings: 4

     

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