COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048577
Chemical Name: 4a-hydroxy-1,7,7-trimethyl-9-oxo-2,3,4,4a,6,7,8,9,10,10a-decahydro-1H-1,4-ethanochromeno[3,2-b]pyridin-1-ium
Smiles: O=C1CC(C)(C)CC2=C1CC1[N+]3(C)CCC(C1(O2)O)CC3

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Saltdata: I-
Molecular Weight: 292.4
Empirical Formula: C17H26NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -2.374
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 46
Number of rings: 5

     

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