COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553228
Chemical Name: N-benzyl(3-{2-[(5S)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2-yl)-N,N-dimethylmethanaminium
Smiles: COC(=O)[C@@]1(C)CCCC2(C1CCC(=C)C2CCc1ccoc1C[N+](Cc1ccccc1)(C)C)C

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Saltdata: Cl-
Molecular Weight: 478.7
Empirical Formula: C31H44NO3

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.451
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 39
Number of rings: 4

     

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