COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553212
Chemical Name: 1-[(3-{2-[(1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2-yl)methyl]pyridinium
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1C[n+]1ccccc1)C

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Saltdata: Br-
Molecular Weight: 422.59
Empirical Formula: C27H36NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.939
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 43
Number of rings: 4

     

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